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Archive 1 | ← | Archive 4 | Archive 5 | Archive 6 | Archive 7 | Archive 8 | → | Archive 10 |
All CAS numbers link to http://emolecules.com, which appears to be an ad-driven listing of chemical suppliers, completely unrelated to CAS. I don't think Wikipedia should drive traffic from all our chemistry articles to such a site without a very good justification. Was such a justification given when those links were first installed? AxelBoldt ( talk) 19:32, 27 November 2007 (UTC)
Has any thoughts been given to including the HMIS Color Bar? I know in my lab, we pay more attention to the HMIS over the NFPA diamonds. — MJCdetroit ( talk) 16:09, 5 December 2007 (UTC)
I am in the process of systematically comparing the data in the infoboxes. Is there systematization of the units (e.g. g/cm^3) either in the actual units used or the syntax used to represent them? Petermr ( talk) 23:32, 6 December 2007 (UTC)
I am interested in extracting the data in the infoboxes in a semantic manner. Given that the data are added into to templates is there a way of accessing these templates for the data? Scraping the HTML leads to several problems. Petermr ( talk) 23:32, 6 December 2007 (UTC)
Could we add a field for triple point? I tried to but screwed it up. Furmanj ( talk) 16:44, 19 December 2007 (UTC)
Please add the property Coefficient of thermal expansion. Uiteoi ( talk) 09:55, 22 April 2008 (UTC)
Please add a property for Specific Heat Capacity or Specific Heat in J Kg-1 K-1 -- 10:36, 22 April 2008 (UTC)
There is already a Heat Capacity property in the Thermo-chemistry section but heat capacity relates to an object and not to a material and therefore which unit is J K-1 -- Uiteoi ( talk) 10:36, 22 April 2008 (UTC)
The heat capacity property actually refers to "molar specific heat capacity" according to Template:Chembox HeatCapacity. Molar specific heat capacity is only one sub-unit among others (kg, g) used to represent the amount of material. -- Uiteoi ( talk) 12:59, 22 April 2008 (UTC)
After looking at the pages referring to the heat capacity template (only 2 at the time), I found that contributors have always been referring to "specific heat capacity" and since no page was referring to "molar specific heat capacity", I decided to change the template to reflect this actual usage. Another option might have been to modify the pages but this would have required to calculate the molar heat capacity which contributors are not supposed to do. -- Uiteoi ( talk) 12:59, 22 April 2008 (UTC).
Please add a field for WLN. 82.207.115.213 ( talk) 15:12, 5 May 2008 (UTC)
I think the Chembox Related could include other naturally ocurring related chemical components. Namely: Isomers (ex: isopropanol in the propanol chembox, ammonium thiocyanate in the thiourea box), by Oxidation (ex: iron(III) oxide in the iron(II) oxide box, propanol in the propane box), by Reduction, by Hydratation (or is it Hydration?) (ex: sulfuric acid in the sulfur trioxide box, ethanol in the ethylene box), by Dehydratation, OtherFunctionalGroup (ex: ethylamine in the ethanol box, sulfuryl fluoride in the sulfuric acid box). Albmont ( talk) 17:02, 1 April 2009 (UTC) I didn't add links because I don't want to pollute the "afluent pages" with a discussion
I am interested in extracting the information from infoboxes and putting it under RDF and CML. This is motivated in part by DBPedia's demo that WP can evolve as a machine-parsable knowledgebase as well as a human-readable encyclopedia. I appreciate that there have been more than one generation of infobox and have read {{ chembox new}} and some of the subsequent links. I have posted an initial example of a WP molecule in RDF at [1]. The information was taken from the XML representation of the information. I have a number of questions - please forgive the rather long list and also my ignorance of current WP activities or practice:
Petermr ( talk) 16:25, 31 December 2007 (UTC)
Hi Peter, interesting lead. Would you please be so kind as to explain what RDF, CML, and BNF actually mean? Wim van Dorst (talk) 17:12, 31 December 2007 (UTC).
My mistake - sorry. They all have WP entries:
More generally I think that the data in WP could be very important. I have already gone on public record as saying that I think WP chemistry will start to become the de facto standard for undergraduate chemical reference, at least for common compounds. Petermr ( talk) 17:38, 31 December 2007 (UTC)
Thanks very much, Wim. It's actually EVERYTHING in the infobox that I want (not just the InChI). Appearance, physical properties, etc. So, for example RDF allows you ask questions like "give me all compounds that are yellow and melt over 200 Celsius". I mailed Martin recently but it's holiday time... The technical questions are probably general WP-technology ones and I don't know who the Template experts are in chemistry. In principle it should be possible to extract all the chemistry automatically. A bonus is that this will automatically detect errors in syntax (and possibly in values - e.g. a constraint that Mpt must be less than Bpt can be checked). Petermr ( talk) 19:54, 31 December 2007 (UTC)
Along these lines, I've written a python program to extract wiki pages with chembox new on them, and another to extract the chemboxes from these pages so I can extract density information. FWIW, there were 3553 entries as of mid-March 2008, of which about 1600 have values entered for density. My density parser is not very clever, and I've edited a number of the wikipedia entries to fill in the gaps. It won't be enough for a complete RDF converter, but it is a start. [PAK] 69.140.172.225 ( talk) 03:08, 29 March 2008 (UTC)
extractchem.py:
"""
Extract all pages from enwiki-latest-pages-articles.xml.bz2
containing "{{chembox new", printing them to stdout.
For the 3.6 Gb compressed wiki database of March 2008, this
operation takes 100 minuits on a 2GHz pentium, yielding 3663
pages, 1653 of which have density information.
"""
import bz2
def next_page(file):
# Skip header
while True:
line = file.readline()
if line.startswith(" <page>"): break
if line == "": return []
# Read page
page = line
has_chembox = False
while True:
line = file.readline()
if "{{chembox new" in line.lower():
has_chembox = True
page += line
if line.startswith(" </page>"): break
return page,has_chembox
def process_file(ifile, ofile):
while True:
page, has_chembox = next_page(file)
if page == []: break
if has_chembox:
print >>ofile, "".join(page),
ifile = bz2.BZ2File('enwiki-latest-pages-articles.xml.bz2')
ofile = open('chempages.xml','w')
process_file(ifile,ofile)
processchem.py
# -*- coding: utf-8 -*-
# This program is public domain
"""
Process chemical pages from wikipedia.
Usage:
wget http://download.wikimedia.org/enwiki/latest/enwiki-latest-pages-articles.xml.bz2
python extractchem.py
python processchem.py
The first command downloads the latest wikipedia dump. At 3.5+ Gb, this takes
an hour or more. The next command extracts chembox articles from the dump.
This takes 1.5+ hours. The third command extracts the chembox entries and
looks at the density field. This is quick, but you will need to change it
frequently to account for variation in human input.
"""
import re
from xmlescape import xmlunescape
title_matcher = re.compile("<title>(.*)</title>")
def find_chembox(page,title):
"""
Extract a chembox from the wiki page.
"""
# Skip to start of <text> block
text = page.find("<text")
# Skip to start of chembox within <text>
start = page.lower().find("{{chembox new",text)
if start < 0: raise ValueError("Missing chembox in "+title)
k = start+13
# We are starting with a nesting level of 1. Go until the end of the
# page or until nesting level reaches zero.
nesting = 1
while True:
if k >= len(page):
# If we reach the end of the page, then we are missing }}
raise ValueError("Mismatched {{Chembox new ... }} in "+title)
return ""
elif pagek:k+2 == "{{":
# Increase nesting level on {{
nesting += 1
k += 2
elif pagek:k+2 == "}}":
# Decrease nesting level on }}
# If nesting level reaches zero we are at the end of the box
nesting -= 1
k += 2
if nesting == 0:
chembook_end = k
return pagestart:k
elif pagek:].startswith("<!--"):
# Skip escaped XML comment
k = page.find('-->',k+4)
if k < 0:
raise ValueError("Mismatched <!-- ... --> in "+title)
else:
# Default is move to next character.
k+=1
def next_page(file):
"""
Get the next title/chembox
"""
# Skip header
while True:
line = file.readline()
if line.startswith(" <page>"): break
if line == "": return None,""
# Read page
lines = line
while True:
line = file.readline()
lines += line
if line.startswith(" </page>"): break
# Convert to a long string
page = "".join(lines)
match = title_matcher.search(page)
title = match.group(1)
chembox = find_chembox(page,title)
chembox = xmlunescape(chembox.decode('UTF-8'))
return title,chembox
density_matcher = re.compile(r"\|\s*[Dd]ensity\s*=\s*([^|]*)\s*\|")
def find_density(chembox,title):
match = density_matcher.search(chembox)
if not match: return None,""
# Convert spaces
density = match.group(1)
for form in " "," "]:
density = density.replace(form," ")
# Regularize units
for form,becomes in [("·"," "),
(u"·"," "),
("−","-"),
(u"−","-"),
(u"³","<sup>3</sup>"),
(u"°",""),
("°"," "),
]:
density = density.replace(form,becomes)
for form in
"kg/dm<sup>3</sup>",
"kg dm<sup>-3</sup>",
"kg.dm<sup>-3</sup>",
"kg/dm^3","kg/dm3",
"kg/L", "kg/l",
"kg l<sup>-1</sup>",
]:
density = density.replace(form,"#mL")#"g/cm**3")
for form in
"mg/cm<sup>3</sup>",
"mg cm<sup>-3</sup>",
"mg.cm<sup>-3</sup>",
"g/L","g/l",
"g L<sup>-1</sup>",
"g.L<sup>-1</sup>",
"g/dm<sup>3</sup>",
"g dm<sup>-3</sup>",
"g.dm<sup>-3</sup>",
"kg/m3",
"kg/m<sup>3</sup>",
"kg m<sup>-3</sup>",
"kg m-3",
"kg.m<sup>-3</sup>",
]:
density = density.replace(form,"#L")#"g/L")
for form in
"g/cm<sup>3</sup>",
"g cm<sup>-3</sup>",
"g.cm<sup>-3</sup>",
"g/cm^3","g/cm3","g/cc",
"g/mL", "g/ml",
"g ml<sup>-1</sup>",
]:
density = density.replace(form,"#mL")#"g/cm**3")
density = density.strip()
# If empty return None
if density == "": return None,""
#print density,"===",title#,match.group(1).strip()
# Split into density/caveat
endvalue = density.find(' ')
if endvalue>0:
value = density[:endvalue.strip()
caveat = densityendvalue+1:].strip()
else:
value = density
caveat = ""
# Missing density?
if value in "-","?"]:
return None,caveat
# Floating point density?
try:
return float(value),caveat
except:
pass
# European decimal point ','?
try:
return float(value.replace(',','.')),caveat
except:
pass
# Value range?
try:
lo,hi = value.split('-')
return (float(lo)+float(hi))/2,density
except:
pass
# Unknown
print title,"unparsed density --> ",density
return None,density
def process_file(file):
while True:
try:
title,chembox = next_page(file)
except ValueError,msg:
print msg
else:
if title == None: break
density, caveat = find_density(chembox,title)
#if density != None: print title,density,'::',caveat
file = open('chempages.xml','rU')
process_file(file)
xmlescape.py:
# Author xmlescape: Gabriel Genellina
# Author xmlunescape: Leif K-Brooks, based on work by Aaron Swartz
# Source http://www.thescripts.com/forum/thread594350.html
# This version is modified from the original.
"""Escape special xml characters in a text string"""
from htmlentitydefs import codepoint2name,name2codepoint
import re
unichr2entity = dict((unichr(code),u'&%s;'%name)
for code,name in codepoint2name.iteritems() if code !=38)
def xmlescape(text,d=unichr2entity):
"""xmlstr = xmlescape(str)
Convert text into a form suitable for inclusion in an XML file,
with characters such as '&' replaced by &
"""
if u"&"in text:
text = text.replace(u"&",u"&")
for key,value in d.iteritems():
if key in text:
text = text.replace(key,value)
return text
def _replace_entity(m):
"""regular expression character replacement function for xmlunescape.
"""
s = m.group(1)
if s0 == u'#':
s = s1:]
try:
if s0 in u'xX':
c = int(s1:], 16)
else:
c = int(s)
return unichr(c)
except ValueError:
return m.group(0)
else:
try:
return unichr(name2codepoints])
except (ValueError, KeyError):
return m.group(0)
_entity_re = re.compile(r"&(#?[xX]?(?:[0-9a-fA-F]+|\w{1,8}));", re.UNICODE)
def xmlunescape(s):
"""str = xmlunescape(xmlstr)
Replace XML entities with original ISO characters.
"""
return _entity_re.sub(_replace_entity, s)
if __name__ == "__main__":
s = "<>&;"
xmls = xmlescape(s)
uns = xmlunescape(xmls)
print "%s => %s => %s"%(s,xmls,uns)
The standard style on Wikipedia is to avoid unnecessary capitalisation: see Wikipedia:Manual of Style (capital letters). So "Material Safety Data Sheet" should become "Material safety data sheet". It's already capitalised this way in the main article ( Material safety data sheet). The only reason I don't do this myself is lack of time to deal with the consequent broken links. Hairy Dude ( talk) 15:53, 6 January 2008 (UTC)
Hi all, since 2005, we formally use the wikitable formatted {{ chembox}}. Approximately a year ago, the {{ chembox new}} was developped for transcluded instead of substituted tables. During 2007, several problems with the transcluded were solved, and overall it was well enhanced, up to the point that last November quietly the old template was adjusted to work for the new template (Thanks, Dirk, PC). I have not been including many chemboxes in new articles recently, but on the whole I have the impression that all practical problems with the {{ chembox new}} have now been solved. That would now allow the discussion to formally move away from the old-style to the new-style, including updating the project page. Any comments? Wim van Dorst (talk) 17:01, 6 January 2008 (UTC).
Is there any consensus as to whether infoboxes like NatOrganic or LabChemical will be taken under the general Chemical infobox? I occasionally see these kinds of infoboxes, but don't know why they are differentiated from other chemicals. It also seems that a lot of inorganics don't have infoboxes, is that just my perception? Casforty ( talk) 04:24, 10 September 2008 (UTC)
It appears that the template automatically creates a link for pKb and points to Acid_dissociation_constant.
I didn't find that link to be helpful.
I clicked the "Basicity" link in the table of properties here Sodium_hydroxide. It took me to Acid_dissociation_constant, where the word "basicity" appears only once -- and without definition.
I was familiar with pH, but not pKa or pKb.
My suspicion as to the meaning of "basicity" was encouraged here:
where the word appears only twice, but contains this:
Which, when combined with this:
leads to the (perhaps erroneous) conclusion that, except for strong bases (which Sodium_hydroxide may or may not be):
That was a long way around to come to an uneasy conclusion.
And pH is a quantity for an aqueous solution. Can a solid have a pKb value? Is the pKb value of -2.43 for Sodium_hydroxide at the point of maximum Solubility in water (111 g/100 ml at 20°C)? If so, it might helpful to note that the tabulated pKb value is given for the point of tabulated maximum solubility (which is temperature-dependent). - Ac44ck ( talk) 18:29, 8 January 2008 (UTC)
I think it would be helpful if you included an explanation of how to manage the pictures (i.e. ImageFileL1 vs ImageFileR1), as I was unable to convert an older chembox template's layout to this one without an extensive search for an example. XarBiogeek ( talk) 22:24, 13 January 2008 (UTC)
A problem with a chemical formula in the currect version [3] of Solanine (if you see a "[show]" link in the "InChI" field then click it) was reported at Wikipedia:Help desk#Problems displaying this Wikipedia page in Firefox. In my Firefox (and Opera but not IE or Google Chrome), a long string without certain characters (spaces, slashes, maybe others) doesn't cause line wrap but instead lengthens a line or widens an infobox. The problem here was the parameter (apparently an International Chemical Identifier):
StdInChI = 1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23?,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41+,42-,43+,44-,45-/m0/s1
Above it's written with a leading space so no line wrapping is supposed to occur. Here is the same source line without a leading space:
StdInChI = 1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23?,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41+,42-,43+,44-,45-/m0/s1
In my Firefox and Opera, it only wraps at slashes and this part is displayed on one line going off the right edge of my screen:
c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42
Is there a chemical rule requiring such strings to be written without spaces or something else that will allow line wrapping? Even if there is such a rule, I think it's better to break it than to break a page display for readers with common browsers, at least when the result is as bad as the infobox in Solanine. PrimeHunter ( talk) 01:45, 28 January 2011 (UTC)
Is it necessary to issue the same warning twice? Once before the main text body and once more inside it. I think only one of these should be used, preferably the one inside the text body. Nutster ( talk) 04:11, 13 February 2011 (UTC)
Just looking at Aspartame and I noticed that there is an unverified change. What particularly drew my attention is that the ticks are (correctly) not linked, but the red cross next to the KEGG entry is linked.
I'd submit an {{
editprotected}} request, except I can't work out where the cross actually is in the code. Could someone more familiar with the template locate the cross images (both the one next to the field in question and the one in the footer) and add |link=
to the end of the [[Image:]]
or [[File:]]
call?
Thanks! — OwenBlacker ( Talk) 20:40, 17 February 2011 (UTC)
That really seriously needs to be an optional parameter. Rememberway ( talk) 18:32, 30 March 2011 (UTC)
There was an unanimous support from the wp:WikiProject Pharmacology to merge Template:Drugbox into chembox (see Template talk:Drugbox#Advantages of a drugbox/chembox merger). Therefore, I'd like to ask here at the chembox side, is this a good idea? Mikael Häggström ( talk) 15:55, 8 May 2011 (UTC)
With the WP:STRATEGY of making it easier for newcomers in mind, I propose making chemboxes as separate templates, so that, when pressing an article's edit button (such as that of methanol), a {{Template:(chemname)-chembox}} is shown at the top of an article, followed by a hopefully humanely presented intro text, rather than the daunting wiki-syntax that currently overwhelms the poor editor. (This has been supported for the drugbox at talk:Drugbox#Make separate templates of drugboxes.) Mikael Häggström ( talk) 16:16, 8 May 2011 (UTC)
Policy or guidelines don't allow for links from article to WikiProjects yet this template has one. Can we have it changed? -- Alan Liefting ( talk) - 09:30, 18 May 2011 (UTC)
It appears the external system that does the JMol 3D images (based on infobox SMILES=
parameter) does not work correctly for multicomponent compounds that have specific geometric relationships for the components. For example,
ferrocene and
chromocene are rendered with the two Cp rings and the metal atom all coplanar rather than the actual positions and orientations of the sandwich compound. That makes sense, because
SMILES is only connective data for individual components, not geometric relationships among separate components. So we need a field that can provide additional/alternative data to feed to the JMol engine (or if that cannot be done easily, a field to cause the infobox to suppress the JMol field).
DMacks (
talk) 17:23, 17 September 2011 (UTC)
The chembox for the caffeine article is absurdly, ridiculously long. I would like to move a lot of the information, such as the Identifiers, Properties, Hazards, and multiple pictures, onto a separate data page, but as far as I can see the template provides no support for doing so. Is there any reasonable way of handling this sort of problem? Looie496 ( talk) 21:11, 23 September 2011 (UTC)
Should the LD50 be included in the chembox? Whoop whoop pull up Bitching Betty | Averted crashes 22:07, 30 September 2011 (UTC)
A prototype merged chem/drug box based on the {{
infobox}} system has been written ({{
Chembox Drug/sandbox}}) and one example can be seen
here (left right-side testcase). In common with the current chembox, the order to the sections can been changed. What is new is that each of the sections has an optional "State" parameter that can be set to "collapsed" or "expanded". In addition, an "path" parameter may be added that supports special purpose transcluded templates (see the "v · d · e" links at the bottom of the example). At the moment the IUPAC Name and a short Chemical Properties sections are hard wired to appear at the beginning of the infobox in an expanded state.
Please note that this is very much a prototype template and there is a great deal of more work needed to handle special cases, debugging, and most importantly making sure that a majority of both the Chemical and Pharmacology Project members are happy with the template.
Boghog (
talk) 11:26, 2 October 2011 (UTC)
Are you going to merge the Chemical data and Properties sections? At the moment, formula and mass occur twice. The caption "Chemical data" would be better in my opinion because it is more specific, and because (for drugs) it nicely matches "Clinical data" and "Pharmacokinetic data". -- ἀνυπόδητος ( talk) 18:19, 2 October 2011 (UTC)
Would it make sense to add a field to the properties section for listing the dynamic viscosity of the chemical at a specific temperature? Regards, RJH ( talk) 15:02, 13 October 2011 (UTC)
Is there a way to make the {{chembox}} template check for the {{DISPLAYTITLE:}} template's name in the body of the article for the article title? That is, before the chembox template automatically uses the article name itself? Many chemicals have italicized lettering for cis/trans etc., which would be more proper of the heading box in chembox, using as it does the chemical name for the molecule in question. Nagelfar ( talk) 20:36, 16 November 2011 (UTC)
The section immediately above and the discussions here and here illustrates a general problem that we are facing in articles where the subject is both notable as a drug and as a chemical. One potential solution is to (1) merge the {{ drugbox}} into the {{ chembox}}, (2) make various sections of the merged infobox optionally collapsible, and (3) provide some flexibility in the order that sections are displayed (e.g., current order for chemicals that are not drugs but clinical section near the top for chemicals that are drugs). There is consensus from WP:PHARMA for this merger. Finally while we are at it, it would be good if the chembox could be updated to use the more modern {{ infobox}} system which offers a cleaner, less clutter syntax and a built in mechanism for special purpose templates (where each chemical would have a separate page for its chemical template that is transcluded back into the chemical article as proposed here). I realize that implementing this proposal will require a substantial effort, but I think the long term benefits justify the effort. Is there support from WP:CHEMS for such an undertaking? Boghog ( talk) 03:07, 26 September 2011 (UTC)
(outdent) Template talk:Drugbox/Archive 7#Single chemical drugs provides an example for policosanol with a chembox. However, if the chembox would be redesigned to use {{ infobox}} as Boghog proposed above, it would probably look more loke the present drugbox. -- ἀνυπόδητος ( talk) 09:04, 28 September 2011 (UTC)
Would the Wikpedia community be interested add reference to the Crystallography open database (COD, http://www.crystallography.net)? Data in COD come from peer-reviewed scientific press, the database is free (as in freedom), and we offer persistent URIs to link to HTML pages or CIF format files (like http://www.crystallography.net/7050897.html for Aspirin or http://www.crystallography.net/2001546.html for Ibuprofen). The COD number (uniquely assigned persistent identifier) could be quoted in Chembox, linking to the appropriate crystal structure HTML page or file. Saulius Gražulis, grazulis at ibt dot lt, 158.129.151.7 ( talk) 15:23, 10 January 2012 (UTC)
As I used the chemical infobox as an example what could be possible for my idea of meta:GlobalTemplates I just wanted to let you know of it. Matthias M. ( talk) 17:36, 15 January 2012 (UTC)
An editor has asked for a discussion to address the redirect Organic table information & Inorganic table information. Since you had some involvement with the Organic table information Inorganic table information redirect, you might want to participate in the redirect discussion (if you have not already done so). 76.65.128.132 ( talk) 05:39, 20 January 2012 (UTC)
See Wikipedia:Categories for discussion/Log/2012 January 22#Category:Chemical pages which do not have a ChemSpiderID. -- ἀνυπόδητος ( talk) 09:23, 22 January 2012 (UTC)
What's the general philosophy on how much information to display in the chembox? I ask because for the article psilocybin, another user recently expanded the chembox to now include physical data that I cannot easily verify, and which isn't mentioned in the article text itself (like boiling point, log P, acidity, basicity and others). I don't know whether to trim some of this info, or leave it in under the assumption that it might be useful to someone sometime. If there is info in the chembox not in the text, should this also be cited inline? Sasata ( talk) 19:29, 29 November 2011 (UTC)
1. I think you should DEFINITELY cite it if not cited in text (ideally, would cite both places, given the template issue)
2. Yes, there definitely should be stuff in the infobox that is not discussed in the text. It is just a data table. Let's say we had a table at the END of an article. It would have some listed data that was not discussed in prose. Putting in a table is a very efficient way to handle some factoids like that. Same thing applies with articles on cities (they will have some details like lat longs or the like that is not in article).
TCO ( talk) 04:11, 30 January 2012 (UTC)
The Chembox info is excellent, could PDB info be added to it? ie a link to macromolecular structures which contain a particular molecule. Just a link to the Compound browser would be needed, eg Choline or biotin to be continuously up to date with the PDB archive. I have a mapping between Inchi and the PDB three letter ligand code which would aid doing it automatically. A2-33 ( talk) 17:39, 30 January 2012 (UTC)
Can we add more information such as heat of fusion, heat of vaporization,...?-- Kc kennylau ( talk) 09:38, 8 February 2012 (UTC)
The Chembox DrugBank link currently points to for example (see Levothyroxine):
which is broken. The following link works:
I would appreciate if someone would fix this. Thanks. Boghog ( talk) 05:45, 9 April 2012 (UTC)
I have noticed that for the most part, properties in the Chemical Infoboxes do not have references. The Infobox Reference link at the bottom gives a link to a list of generic references. Are these the only sources for the properties in the Infobox? If so, some of them are a bit out of date (7th edition of the Merck Index for example - I'm working from the 10th and feeling out of the mainstream).
Also, I have noted several places, notably Phosphorus tribromide where there is a picture of a bottle containing a liquid. The documentation for the photo indicates that it is PBr3 - but it could just as easily be water. Is there any real need for something like this on a generic liquid like this? I can see including a photograph if the compound had some interesting feature, but otherwise, I'm not sure that it adds much value. JSR ( talk) 13:00, 14 June 2012 (UTC)
Has anyone noticed that an editor is systematically removing names from Chemical Infoboxes? He puts a citation needed reference on the name and then 1.5-2 months later, he removes them or demotes them to other names if they were originally listed as an IUPAC name. JSR ( talk) 19:38, 30 June 2012 (UTC)
The painful line wrap problem is still there, and in some cases the chembox extends so wide that its left side extends outside the viewport and/or under the left-side menu. This is a problem in older browsers (that use Gecko 1.8.1 like SeaMonkey 1.1 and Firefox 2) that support CSS well, and newer browsers when JavaScript is turned off either manually or with NoScript. The template appears to lack effective line wrap code to deal with it.
http://toolserver.org/~cbm/20090127b.png shows a horizontal scrollbar (in Firefox 2.0, possibly from using overflow in CSS), which should be the solution for very long names. An earlier discussion here mulls the use of a zero-width space (​), but there was no definitive decision taken. For example, in Oxytocin I added zero-width spaces (not knowing where exactly to position them) to the IUPAC name, but left the InChI name as is. - Mardus ( talk) 00:17, 20 May 2012 (UTC)
Names | |
---|---|
IUPAC name
aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa
| |
Except where otherwise noted, data are given for materials in their
standard state (at 25 °C [77 °F], 100 kPa).
|
Names | |
---|---|
IUPAC name
aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa-aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa
| |
Except where otherwise noted, data are given for materials in their
standard state (at 25 °C [77 °F], 100 kPa).
|
I have concerns about the use and accessibility of {{ R-phrase}}. Please join the discussion. Andy Mabbett (Pigsonthewing); Talk to Andy; Andy's edits 11:17, 20 August 2012 (UTC)
Seen in article BINAP. Tried to remove the InChI and StdInChI lines, and the article displayed as it should. I can't do anything from my side here, unfortunately. Maybe they will even have to include a fix in their template themselves. -andy 77.191.33.193 ( talk) 12:40, 20 December 2012 (UTC)
is anyone in favor of adding electroconductivity to the chembox? I could see this as useful information that one may want to have immediately present when visiting a page. I've been spurred to action because I myself have been scouring the internet for hours looking up various compounds and whether or not they were electroconductive. I couldn't help but think how much easier it would have been to have a simple yes/no box or even something a bit more detailed (if any of you are feeling ambitious)
Nxtfari ( talk) 05:57, 14 January 2013 (UTC)
Hi... I was editing niobium(V) ethoxide and ran into a problem here - notice the invalid ref. I figured out that the problem was that the solubility parameter in the chembox was in the section for chembox thermochemistry rather than in the chembox properties section. Looking at the chembox template documentation, it shows parameters solubility, solubleother, and solvent under chembox thermochemistry in the full form version but under chembox properties for the medium form version. I presume this is easy enough to fix, and I presume that the latter is correct. However, if you look at Template:Chembox Properties you'll find that has not solubleother parameter, but it does have solubilityother. So, I suspect that the properties template has had parameters changed but the overall chembox documentation does not match. Would someone who is good with untangling templates please sort out the documentation?
Secondly, it seems to me there is a problem that a bot could fix in sorting this out in article space, moving any solubility and solvent parameters within chemboxes from the chembox thermochemistry section to the chembox properties section. Any occurences of the solubleother parameter need to be changed to solubilityother and likewise moved to the chembox properties section. Does that sound right?
Thirdly, is this the only time when a problem like this has been created by renaming parameters and/or moving them between chemboxes, because if it isn't then it would be good to fix those too. My knowledge and understanding of templates is poor, hence my request for others to sort it out rather than trying myself. Many Thanks, EdChem ( talk) 10:52, 2 December 2012 (UTC)
Note that there is currently a BRFA open for this task. Any input is welcome (particular if you know a reason why this bot should not go ahead) -- Chris 14:25, 17 December 2012 (UTC)
Follow-up thought: I've noticed a number of pages have both the EINECS parameter and the Ec-number parameter completed, which simply leads to a double entry of identical information in the infobox (see this version of the tantalum(V) ethoxide article, for example). The EINECS article confirms these parameters refer to the same identifying property. Would it be appropriate to (a) note in the documentation that only one of these parameters be completed (b) have a bot remove all the duplicates and remove the blank parameter when the other is completed? Perhaps even have a bot consolidate all the entries under a single parameter and we remove the other from the template? It just seems to me that duplication in who knows how many templates is pointless, and keeping both parameters just means that more duplicates will be introduced in the future. Thoughts? EdChem ( talk) 00:06, 18 December 2012 (UTC)
Why isn't Gibbs free energy of formation included, when enthalpy of formation is? It's an important number for checking feasibility of reactions and estimating the temperature at which the Gibbs free energy of a reaction changes sign (using ΔH/ΔS which equals 298.15K×ΔH/(ΔH−ΔG), see Ellingham diagram). Eric Kvaalen ( talk) 14:14, 22 January 2013 (UTC)
We need additional fields for sublimation points and triple points. Currently, carbon dioxide and acetylene are making do in mutually exclusive ways. DS ( talk) 02:15, 29 March 2013 (UTC)
The rule
is not considered in the chembox (see e.g. Chlorosilane). -- Leyo 08:50, 5 April 2013 (UTC)
Hi,
Why is there en entry for LD50 and not an entry for LC50? It could be of importance too...
-- XonqNopp Tk 06:48, 17 April 2012 (UTC)
There really should be one for LD50, LC50 and LCt50. Just use whichever is the most appropriate. — Preceding unsigned comment added by 121.45.221.149 ( talk) 02:37, 11 May 2013 (UTC)
Could we change some details in design of this infobox? For example:
I think it will be better to watch and shouldn't destroy the content, like here - Glade Interface Designer. -- Rezonansowy ( talk) 21:56, 11 May 2013 (UTC)
This
edit request has been answered. Set the |answered= or |ans= parameter to no to reactivate your request. |
Please, change these things:
-- Rezonansowy ( talk) 21:47, 8 July 2013 (UTC)
This
edit request to
Template:Chembox Properties has been answered. Set the |answered= or |ans= parameter to no to reactivate your request. |
The Parameter is still in this template but belongs into { http://en.wikipedia.org/wiki/Template:Chembox_Structure structur subtemplate] where it already is listed and inplemented so it just has to be deleted here.
Saehrimnir ( talk) 20:02, 11 July 2013 (UTC) — Preceding text originally posted on Template talk:Chembox Properties ( diff)
Hi I started this discussion.-- Saehrimnir ( talk) 05:48, 22 July 2013 (UTC)
Lua enables finding articles with template parameter name errors. I implemented this into the de-WP version of the chembox and other templates. The affected articles are categorized. The display of error messages may be restricted to autoconfirmed users ( MediaWiki:Group-autoconfirmed.css would need to be created), since we do not want readers to see them. The TemplateTiger query does a similar job, but is usually outdated. Thoughts? -- Leyo 16:30, 5 September 2013 (UTC)
This
edit request to
Template:Chembox Identifiers has been answered. Set the |answered= or |ans= parameter to no to reactivate your request. |
I think it would be useful to also include the E number for food additives in this template. It's a very common identifier used on food labels in Europe. -- intgr [talk] 16:06, 13 October 2013 (UTC)
{{
edit protected}}
template. Also, prior to determining consensus, please put your proposed modification into
the template's sandbox and demonstrate at
the template's testcases. More information at
WP:TESTCASES. --
Redrose64 (
talk) 19:52, 13 October 2013 (UTC)It has been more than a year since a similar error was reported in the section "Use minuses instead of hyphens for negative values", and nothing has been done to fix the Chembox properties template. A similar error is that a hyphen is used instead of an en dash to indicate a range of temperatures when values are provided for MeltingPtFL and MeltingPtFH or BoilingPtFL and BoilingPtFH, or if the temperatures are given in K or °C. I could give it a shot, but if you think that would probably work out well, you really shouldn't be using nitrous oxide and working in Wikipedia at the same time. Chris the speller yack 02:31, 11 December 2011 (UTC)
This
edit request to
Template:Chembox Properties has been answered. Set the |answered= or |ans= parameter to no to reactivate your request. |
Hi! In chemboxes, ranges (of temperature, for instance) are separated by a hyphen (-). They should use the en dash (–), as explained on en (typography). Thank you! Nirmos ( talk) 01:21, 4 November 2013 (UTC)
{{
edit protected}}
- the part that presently says <!-- Page to be edited -->
- so it's not clear which page you wish to be modified. I cannot assume that it's
Template:Chemical infobox either, because there is no template of that name. If you look at
the previous section of this page in edit mode, you'll see that it begins {{
edit protected|Template:Chembox Identifiers|answered=yes}}
, so I was able to determine that a modification to
Template:Chembox Identifiers was desired, but I cannot be certain that this request concerns the same template. --
Redrose64 (
talk) 09:53, 4 November 2013 (UTC)
{{
edit protected}}
template. I think that
Wikipedia talk:WikiProject Chemistry should be informed and have their chance to comment. --
Redrose64 (
talk) 14:09, 4 November 2013 (UTC)
This
edit request has been answered. Set the |answered= or |ans= parameter to no to reactivate your request. |
Last edit was not discussed, and there is no reason to use {{ Convert}} to a value which is the same on all pages. And the text should not be "standard state (at 25 °C or 77 °F, 100 kPa)". It is not a "or", its the same value, so it should be like "standard state (at 25 °C (77 °F), 100 kPa)". Christian75 ( talk) 10:03, 17 December 2013 (UTC)
In this decline at Wikipedia talk:Chemical infobox, you were looking at the direct namespace match Wikipedia:Chemical infobox. That talkpage is also used for the whole Template:Chembox suite of spaghetti. The request was probably talking about this last edit. DMacks ( talk) 15:13, 17 December 2013 (UTC)
{{
edit protected}}
and similar templates, the first positional parameter should be used to specify the name of the page that is to be edited, when that is different from the {{SUBJECTPAGENAME}}
. I had already explained that at
Wikipedia talk:Chemical infobox#En dash for ranges. --
Redrose64 (
talk) 15:18, 17 December 2013 (UTC)
Please compare the chembox in Niobium(V) ethoxide and Tantalum(V) ethoxide (todays versions). In the first one, the text in the value are tight to the vertical border (to their left); in the second chembox there is one pix of space. The second one looks good. Probably somewhere in a subtemplate a "padding" or "cellpadding" is set to 0. - DePiep ( talk) 08:27, 20 December 2013 (UTC)
The GMD has GC-MS spectra identifying 67 spectra in the list of biomolecules. I would like to link to these GC-MS spectra. I thought the best for this would be in the data page of a molecule, which leaves me with some questions: Do I replace the MS link on the data page? Or add a GC-MS link and keep the MS link? Just as an example: /info/en/?search=Alanine_(data_page)
Secondly, how do these data pages work. Is there a template for new new pages? Does the information on this page get processed and shown in the "Supplementary Data Page" section of the {{ chembox}}? Billiauk ( talk) 15:21, 27 November 2013 (UTC)
Notification: |DeltaGf=
for
Gibbs free energy is added to {{
Chembox Thermochemistry}}, working. -
DePiep (
talk) 11:33, 2 March 2014 (UTC)
- DePiep ( talk) 00:21, 5 March 2014 (UTC)
In {{ chembox}}, we can show temperatures for melting point, boiling point, flash point and autoignition temperature. Their value can be in plain text (any text), or calculated into °C, °F, and K from a single value (in C, F or K). Calculating & formatting was changed in December 2013 ( [5]), now using {{ convert}}. Below is a next set of related changes I propose, a follow-up. I have added demo's and a preliminary documentation below. - DePiep ( talk) 18:43, 26 December 2013 (UTC)
|MeltingPtPrefix=
and |Melting_ref=
to allow correct inputFlashPt
and Autoignition
the same set of options|MeltingPtC=50
→ 50 °C; 122 °F; 323 K -- Current format|MeltingPtC=50
→ 50 °C (122 °F; 323 K) -- Example, input in °C. Using brackets is an option (once for all temps, all chemboxes)|MeltingPtC=50
|MeltingPtCH=50
→ 50 to 75 °C (122 to 167 °F; 323 to 348 K) -- Range calculated from °C will have brackets too|MeltingPtF=122
→ 50 °C; 122 °F; 323 K -- Example, input in °F (brackets not an option; same for K input)|MeltingPtCL=
are deprecated (kept, but removed from documentation). |MeltingPtC=
does the same job already. Reduces documentation and complexity.Any comments, questions? Preference in the bracket question? - DePiep ( talk) 18:43, 26 December 2013 (UTC)
Below is a preliminary documentation (and background) for the parameters & their effects.
Properties | |
---|---|
Melting point | 75 °C (167 °F; 348 K) |
Boiling point | Unknown |
Hazards | |
Flash point | 10 °C; 50 °F; 283 K |
38 °C; 100 °F; 311 K | |
Except where otherwise noted, data are given for materials in their
standard state (at 25 °C [77 °F], 100 kPa).
|
A | Unknown | using plain text, no calculations |
B | Unknown[1] (desintegrates) | using plain text, a ref, and a note |
C | 50 °C; 122 °F; 323 K | using number input, calculate temperatures |
D | ± 50 °C; 122 °F; 323 K[1] (desintegrates) | using number input, additional texts |
E | 50 to 75 °C; 122 to 167 °F; 323 to 348 K[1] (not confirmed)[2] | temperature ranges from input |
d1 | <_50 °C; 122 °F; 323 K[1]_some note[2] | Complete output, one temperature |
d2 | ±_50 to 75 °C; 122 to 167 °F; 323 to 348 K[1]_some note[2] | Temperature range |
d3 | prefix_calc temp's from numeric input[reference 1]_notes[reference 2] | Descriptive input |
d4 | Using plaintext only | Plain text. No numbers, no chembox calculations |
d5 | Using plaintext only[reference 1]_notes[reference 2] | Using plaintext (no numerics), and additional parameters |
Plain text | |||
---|---|---|---|
i1 | |MeltingPt=
|
Any plain text and 30 °C (303 K) | |
Temperatures, calculated | |||
i2 | |MeltingPtC=100 |
50 °C; 122 °F; 323 K | Temp's calculated from single number input in °C |
i3 | |MeltingPtF=100
|
38 °C; 100 °F; 311 K | Temp's calculated from single number input in °F |
i4 | |MeltingPtK=100
|
−173 °C; −280 °F; 100 K | Temp's calculated from single number input in K |
Any C, F or K number input overwrites plaintext input |MeltingPt=Any text
| |||
i6 | |MeltingPtC=50 |MeltingPtPrefix=<
|
<_50 °C; 122 °F; 323 K | PtPrefix : used for any number input; a space is added
|
i7 | |MeltingPtC=50 |MeltingPtF=100 |MeltingPtKH=350
|
Only one temperature unit can be used. But "MeltingPtC" and "BoilingPtF" may be used together | |
Temperature ranges, calculated | |||
i8 | |MeltingPtF=50 |MeltingPtFH=60
|
10 to 16 °C; 50 to 60 °F; 283 to 289 K | Adding _FH will show a range. _F is the low end, _FH is the high end
|
Additional input | |||
i9 | |Melting_ref=<ref>{{cite web|url=...}}</ref>
|
50 °C; 122 °F; 323 K[1] | Reference, added right after "...K "
|
i10 | |Melting_notes=''(some note)''
|
50 °C; 122 °F; 323 K_(some note) | Any text notes; a space is added, but no brackets |
i11 | |Melting_notes=
|
50 °C; 122 °F; 323 K_(some note)[2] | A final ref can be added in this parameter |
i12 | |MeltingPtF=50 |MeltingPtFH=60 ...
|
±_10 to 16 °C; 50 to 60 °F; 283 to 289 K[1]_some note[2] | Ranges, with all options |
i13 | |MeltingPtC=50 |MeltingPtPrefix=< |Melting_ref=<ref>Re source</ref> |Melting_notes=some note
|
<_50 °C; 122 °F; 323 K[1]_some note | Complete output, one temperature |
i14 | |MeltingPtC=50 |MeltingPtPrefix=< |Melting_ref=<ref>Re source</ref> |Melting_notes=
|
50 °C; 122 °F; 323 K[1]_some note[2] | A final ref can be added to the _notes
|
All parameters for Melting, Boiling, Flash, Autoignition
| ||
---|---|---|
|
{{See newer section #Improved temperature options in Chembox below. - DePiep ( talk) 00:21, 5 March 2014 (UTC)- DePiep ( talk) 00:21, 5 March 2014 (UTC)
The ATC code parameter doesn't appear to be displaying correctly anymore. I don't know if it broken in every instance of its use, but I've seen it in several articles ( thiamine, for example). Perhaps, the edits by @ DePiep: to {{ Chembox Identifiers}} on March 15 are involved. -- Ed ( Edgar181) 00:33, 23 March 2014 (UTC)
I've been working on the NFPA diamond in chembox. The diamond now is centered, has codes wikilinked (clickable), and some whitespace below (white line) is removed.
Pages with unknown codes are listed in
Category:Articles with unknown NFPA 704 code. Initially, this category had 34 entries. After removing wrong codes (like |NFPA-R=0
), remaining entries could not be corrected directly (I found some codes NFPA-O=E, removed as non-existant. Should "E" be added to the list though? Electicity?). Needed is:
|NFPA-F=?
(question mark). NFPA-O defaults to blank already.|NFPA_Ref=
will be added. The reference link (like [7]) will show next to the diamond (not in the diamond).|NFPA-F=
, three times). I am not sure that this is according to NFPA guidelines. We could set it to default to blank. Anyone knowing more?These I will add the two options shortly. In the future, the basic diamond ideally will be merged with the {{ NFPA 704}} out-of-chembox diamond, to reach similar appearance everywhere.
The works continue. - DePiep ( talk) 08:53, 20 March 2014 (UTC)
This
edit request to
Template:Chembox Thermochemistry has been answered. Set the |answered= or |ans= parameter to no to reactivate your request. |
Please add Gibbs free energy of formation. It's an important number for checking feasibility of reactions and estimating the temperature at which the Gibbs free energy of a reaction changes sign (using ΔH/ΔS which equals 298.15K×ΔH/(ΔH−ΔG), see Ellingham diagram). The name DeltaGf has been suggested for this. There are three other properties that have been suggested, namely SolutionEthalpy, VaporizationEnthalpy, and MeltingEnthalpy. (See [6].) Eric Kvaalen ( talk) 12:13, 5 February 2014 (UTC)
Eric Kvaalen. To me, it looks like this |DeltaGf=
does not work. Could you use it?
Some demo values from
carbon monoxide plus a DeltaGf added:
|DeltaHc=−283.4 kJ/mol
|DeltaGf=some_delta_gf_value
In the chembox (sandbox trial now):
Thermochemistry | |
---|---|
Heat capacity (C)
|
29.1 J/K mol |
Std molar
entropy (S⦵298) |
197.7 J·mol−1·K−1 |
Std enthalpy of
formation (ΔfH⦵298) |
−110.5 kJ·mol−1 |
Gibbs free energy (ΔfG⦵)
|
some_delta_gf_value |
Std enthalpy of
combustion (ΔcH⦵298) |
−283.4 kJ/mol |
Except where otherwise noted, data are given for materials in their
standard state (at 25 °C [77 °F], 100 kPa).
|
So this is wrong. I hope there are no pages with this error. I can do the template, if you help me with the chemistry. Can you tell me what the text in the lefthand cell should be, for this DeltaGf? " Gibbs free energy ΔG" maybe? - DePiep ( talk) 11:44, 24 February 2014 (UTC)
kJ·mol−1
by default. This can be overwritten by the editor: |DeltaGf_unit= kW
→ 100 kW (example). Is this OK?Done, with other changes in {{ Chembox Thermochemistry}}~, see documentation there. (Sequence, sp, fmt). - DePiep ( talk) 08:26, 2 March 2014 (UTC)
Eric Kvaalen. While we are at it, are Solution Ethalpy, Vaporization Enthalpy, and Melting Enthalpy you mentioned to be added (or are they disputed)? Please suggest parameter name, wikilink page, lefthand-text, and relevant notes. My first guesses (edit them here it you like):
|SolutionEnthalpy=
|VaporEnthalpy=
|MeltingEnthalpy=
- DePiep ( talk) 11:44, 24 February 2014 (UTC)
Proposals | ||||
---|---|---|---|---|
Parameter | Lefthand text | Value (example) | Default unit | Note |
|DeltaGf= |
Discuss above | |||
|SolutionEnthalpy= |
Enthalpy change of solution ΔH |
? | ||
|VaporEnthalpy= |
Enthalpy of vaporization ΔHvap | ? | ||
|MeltingEnthalpy= |
? |
Note done: not clear enough. - DePiep ( talk) 08:28, 2 March 2014 (UTC)
In {{ chembox}}, we can show temperatures for melting point, boiling point, flash point and autoignition temperature. Their value can be in plain text (any text), or calculated into °C, °F, and K from a single value (in C, F or K). Calculating & formatting was changed in December 2013 ( [8]), using the renewed (Lua) {{ convert}}. Below is a next set of changes I propose for these four temperature values. I have added demo's and a preliminary documentation below. - DePiep ( talk) 00:19, 5 March 2014 (UTC)
Brackets in temperature values formatThe output format will be: 50 °C (122 °F; 323 K) when temperature is defined in °C.
Demo:
|BoilingPtF=100 (in F)Endnotes not bracketed, allow referenceToday,
The editor is in control of the output.
Demo:
(the references here are constructed for the example. One should use <ref> ... </ref> tags).
|Boiling_notes=''(Another note)''<sup>[ref3]</sup> Prefix before numbersWhen temperatures are calculated, there can be no prefix added. New
Demo:
|BoilingPtC=100 Flash point and Autoignition temperature: same full set of optionsFlashpoint and Autoignition temperature will get exactly the same set of parameters. That is, the new
Demo:
Unchanged
Deprecated parameters will be supported (but not documented). Tracking & maintenance categoriesCategory:Chemboxes with conversion issues lists articles that contain errors or checks:
Category:Chemboxes with temperature notes
Category:Convert error categories
More technical testcases are in Template:Chembox MeltingPt/testcases. Parameter list
|
{{
Convert}} now automatically handles ranges, so we can scrap some of the fooH=
fields. Compare:
legacy separate second parameter if range | |||||
|
| ||||
range passed as single parameter | |||||
|
|
Note that this is already available in {{ Chembox Properties}} and anywhere else that relies on the low-level {{ Chembox CalcTemperatures}} template for conversion and formatting. However, we should standardize the display syntax. If "to" is the preferred range signifier (and I do agree with that rather than the default "whatever the value uses", which would be some form of hyphen/dash as I assume one would most likely use in the value), I'm not sure {{ convert}} supports that yet...
{{
convert|10|to|15|C|C F K}} |
10 to 15 °C (10 to 15 °C; 50 to 59 °F; 283 to 288 K) |
{{
convert|10-15|C|C F K}} |
10–15 °C (10–15 °C; 50–59 °F; 283–288 K) |
{{
convert|10 to 15|C|C F K}} |
10 to 15 °C (10 to 15 °C; 50 to 59 °F; 283 to 288 K) |
{{
convert|10-15|to|C|C F K}} |
convert: invalid number |
{{
convert|10-15|to| |C|C F K}} |
convert: needs another number |
Passing the range-token without a second value (or with a null second value) doesn't work. Is there a named parameter we can use? DMacks ( talk) 04:20, 5 March 2014 (UTC)
|MeltingF=-50--30
→ −46 – −34 °C; −50 – −30 °F; 228–239 K. -
DePiep (
talk) 13:34, 5 March 2014 (UTC)
Changes in the {{ Chembox}} templates.
|data page pagename=
to set overrule the default "pagename (data page)".|style-left-column-width=40%
. This can be set in main Chembox.|width=
. Default is 22em. With these two sizes settings plus individual image size setting, you can play with the layout.|ImageSizeL1=80px
, usually for stranger image proportions.|width=
and |style-left-column=
. Best is to avoid individual settings. (note: this sizing required an empty row below the whole box, slightly visible. I find that acceptable given to other improvements is brings).Two suggestions:
–– Agyle ( talk) 20:20, 31 March 2014 (UTC)
There is a white box in the bottom of the infobox. Why? (mistake?) Christian75 ( talk) 15:55, 1 April 2014 (UTC)
|style-left-column-width=50%
, a chembox parameter (top level, not a section thing).|width=
, for the infobox (default=32em).|show_ss_notice=no
. Editor in control, to not add when nonsensical). I could not make the prose sentence into two boxes. And last time I changed the brackets in this row, there was a riot for no-consensus so I'm staying away from that.Couldn't Mohs scale of mineral hardness be included in this template? - Technophant ( talk) 03:39, 5 April 2014 (UTC)
|MohsHardness=
(expect 0–>10 dimensionless; with decimals)Mohs hardness | 9.5 |
In {{ Chembox image sbs cell}} the default size is |sizedefault=200px, why not remove this line? If we do so the defaultsize is the thumbnail size which a logged in user can change in their preferences. Otherwise I will suggest we change it to 220 px which is the normal thumbnail size. Christian75 ( talk) 12:04, 4 April 2014 (UTC)
|sizedefault=100px
twice (sbs=side-by-side images).|sizedefault=200px
. These were the long time default sizes (not changed recently).Do we have an official contact for the Jmol applet server at chemapps.stolaf.edu used by the "Image 1", etc. extlinks that are generated by {{ Chembox SMILES}}? It is currently serving a java applet, but Jmol now also has a javascript applet. Switching to javascript would improve portability of the chembox (allow 3D model display) onto platforms that don't support (or have disabled for various reasons) java. DMacks ( talk) 13:58, 2 June 2014 (UTC)
Template:Chembox preforms a check on whether an eponymous file exists. That is, for example, whether for article Ammonia a file Ammonia.gif, .png, .svg or .jpg exists (ammonia.gif does). If so, that article is added to Category:Chemical pages with an eponymous image available. Currently, the ere are 5674 eponymous files found, for 9840 chembox transclusion (~57%).
Following a discussion at c:Commons:Deletion requests/File:Diadinoxanthin.png, we can optimise this file check. It better only be done when no file image is used at all (so there is an automated hint to use the eponymous file, through the category). The template will work like this:
When no image is entered at all in an article chembox, template:chembox will look for eponymous images with extensions gif, svg, png and jpg. If there exists one, the page will be added to Category:Chemical pages with an eponymous image available.
Technically, the test is performed in template:Chembox Footer. And: the category will contain only a few pages, not 5000+. Also the original problem in the commons link will be reduced: the image appears "in use" while only being checked for existance - that will be gone too -- except for those listed. - DePiep ( talk) 21:59, 20 June 2014 (UTC)
When using the "automatic" formula method ({{
Chembox Properties|C=2|H=5}}
, the results appear to display according to
Hill order (C...H...everything-else-alphabetically). It's actually generated by an inner template: {{
Chembox Elements|C=2|H=5|Cl=1}}
gives:
When there are no carbons, Hill says H goes in its place strictly alphabetically. But {{
Chembox Elements|B=1|H=3}}
gives:
still "C/H first". DMacks ( talk) 02:17, 4 July 2014 (UTC)
|Formule=
it is by the editor that the sequence is set. OTOH, shouldn't this issue also include "C when no H is present" (as an inorganic formule)?Molecules have triple points, and they also have critical points. Those points represent when there is enough pressure for all 3 states of matter to exist, and when there is enough pressure that the gas and liquid states blend together, respectively. So can somebody add those parameters? DSCrowned ( talk) 04:02, 5 July 2014 (UTC)
I've just copied all relevant templates to cy, I should think a good 80 of them. It looks good and thanks to all for really hard work. Just a suggestion: can you please keep in mind the other languages when creating the next draft! There must be a way of creating a file of all relevant templates that could be 'dumped' into another language wiki. If only life was that simple - I suppose I want it on a plate! Thanks again. Llywelyn2000 ( talk) 19:47, 6 July 2014 (UTC)
|IUPACName=
", and why would that be a problem? In general, I do not understand what changes you would like to the English {{
Chembox}} (next draft). If it helps inter wiki translation, we sure can do that. -
DePiep (
talk) 20:33, 6 July 2014 (UTC)
cy
is Welsh.
cy:wikipedia has Latin script. -
DePiep (
talk) 20:40, 6 July 2014 (UTC)We have some 125 element infoboxes (see Category:Periodic table infobox templates). I have prepared changes to change the box into a wiki-standard {{ Infobox}}. See Change_Infobox_element_to_use_{Infobox} for an overview and comments. Some questions are open.
You can check your favorite element for changes (e.g., fluorine). An all-parameter demo is here. - DePiep ( talk) 13:27, 18 July 2014 (UTC)
Template:Infobox <element>/testcases
): Would it be possible to create a new Hidden Category of "Pages with a Chembox which have not been assigned to a wikiproject"? It would be useful as a curating tool. -- Project Osprey ( talk) 14:48, 14 January 2015 (UTC)
|hasWikiProject=no
? Consider this alternative: we list lists all articles with a chembox and without any WP-assesment template on their talkpage. Like that? Not a category then. (Maybe done by a bot or AWB manipulation or
WP:CATSCAN). While you're at it, aim at same thing for {{
drugbox}} articles? -
DePiep (
talk) 15:05, 14 January 2015 (UTC)
#ifcategory
aren't installed on Wikipedia. Oops.
DMacks (
talk) 17:41, 14 January 2015 (UTC)Rephrase the question.
This is the output from CatScan, apologies for the delay it took a bit of time to format. I'll probably start sorting through it tomorrow but I would like to take a moment to express my delight at the existence of Beefy meaty peptide, what a brilliant name! -- Project Osprey ( talk) 23:48, 14 January 2015 (UTC)
Three-way list: A only, B only, A and B. Lists 14435 articles. - DePiep ( talk) 01:07, 15 January 2015 (UTC)
I think that odor threshold value is a very important piece of information (see Odor detection threshold). Various sources are available:
What do you think? Mintz l ( talk) 00:50, 3 January 2015 (UTC)
In article code, whitespace can be very helpful & distracting. Irregularities are distracting & confusing.
For {{ Chembox}} I propose to use whitespace one way :
{{Chembox | Name = Amonia | ImageFile = | Section1 = {{Chembox Identifiers | ChemSpiderID = 217 | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | StdInChI = 1S/H3N/h1H3 | StdInChI_Ref = {{stdinchicite|correct|chemspider}} }} }}
}}
on newline and with double space (to align with the opening Sectionparameter).This does not have any effect on presented result.
This is to prevent iregualrities like :
{{Chembox| Name =Amonia |ImageFile1= | Section1= {{Chembox Identifiers | ChemSpiderID = 217 | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | StdInChI = 1S/H3N/h1H3 | StdInChI_Ref = {{stdinchicite|correct|chemspider}} }} }}
Any comments? - DePiep ( talk) 11:50, 22 December 2014 (UTC)
The space after the pipe is unnecessary, and it is more usual to see equals signs aligned:
{{Chembox |Name = Amonia |ImageFile = |Section1 = {{Chembox Identifiers |ChemSpiderID = 217 |ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |StdInChI = 1S/H3N/h1H3 |StdInChI_Ref = {{stdinchicite|correct|chemspider}} }} }}
which aids readability. However, editors may use any form; it's not clear what you're proposing, It would be impractical to impose one style on all editors, and it would not be acceptable to make mass edits solely to change the use of whitespace. Andy Mabbett (Pigsonthewing); Talk to Andy; Andy's edits 10:30, 23 December 2014 (UTC)
I think this is going to be very dependent on the editor. Personally I like a variation of option II above:
{{Chembox| Name =Amonia | ImageFile1= | Section1= {{Chembox Identifiers | ChemSpiderID = 217 | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | StdInChI = 1S/H3N/h1H3 | StdInChI_Ref = {{stdinchicite|correct|chemspider}} }} }}
Main template parameters with one space, the in-section parameters with 2 spaces (but this may be my programming-instinct at work). In the end it does not really matter, except for being able to see what is in where. I think this is why I made CheMoBot putting two spaces before the _Ref parameters and 1 space before the 'verified'-parameters in the body of the template. I don't have any preference in any form. -- Dirk Beetstra T C 11:21, 23 December 2014 (UTC)
This is an archive of past discussions. Do not edit the contents of this page. If you wish to start a new discussion or revive an old one, please do so on the current talk page. |
Archive 1 | ← | Archive 4 | Archive 5 | Archive 6 | Archive 7 | Archive 8 | → | Archive 10 |
All CAS numbers link to http://emolecules.com, which appears to be an ad-driven listing of chemical suppliers, completely unrelated to CAS. I don't think Wikipedia should drive traffic from all our chemistry articles to such a site without a very good justification. Was such a justification given when those links were first installed? AxelBoldt ( talk) 19:32, 27 November 2007 (UTC)
Has any thoughts been given to including the HMIS Color Bar? I know in my lab, we pay more attention to the HMIS over the NFPA diamonds. — MJCdetroit ( talk) 16:09, 5 December 2007 (UTC)
I am in the process of systematically comparing the data in the infoboxes. Is there systematization of the units (e.g. g/cm^3) either in the actual units used or the syntax used to represent them? Petermr ( talk) 23:32, 6 December 2007 (UTC)
I am interested in extracting the data in the infoboxes in a semantic manner. Given that the data are added into to templates is there a way of accessing these templates for the data? Scraping the HTML leads to several problems. Petermr ( talk) 23:32, 6 December 2007 (UTC)
Could we add a field for triple point? I tried to but screwed it up. Furmanj ( talk) 16:44, 19 December 2007 (UTC)
Please add the property Coefficient of thermal expansion. Uiteoi ( talk) 09:55, 22 April 2008 (UTC)
Please add a property for Specific Heat Capacity or Specific Heat in J Kg-1 K-1 -- 10:36, 22 April 2008 (UTC)
There is already a Heat Capacity property in the Thermo-chemistry section but heat capacity relates to an object and not to a material and therefore which unit is J K-1 -- Uiteoi ( talk) 10:36, 22 April 2008 (UTC)
The heat capacity property actually refers to "molar specific heat capacity" according to Template:Chembox HeatCapacity. Molar specific heat capacity is only one sub-unit among others (kg, g) used to represent the amount of material. -- Uiteoi ( talk) 12:59, 22 April 2008 (UTC)
After looking at the pages referring to the heat capacity template (only 2 at the time), I found that contributors have always been referring to "specific heat capacity" and since no page was referring to "molar specific heat capacity", I decided to change the template to reflect this actual usage. Another option might have been to modify the pages but this would have required to calculate the molar heat capacity which contributors are not supposed to do. -- Uiteoi ( talk) 12:59, 22 April 2008 (UTC).
Please add a field for WLN. 82.207.115.213 ( talk) 15:12, 5 May 2008 (UTC)
I think the Chembox Related could include other naturally ocurring related chemical components. Namely: Isomers (ex: isopropanol in the propanol chembox, ammonium thiocyanate in the thiourea box), by Oxidation (ex: iron(III) oxide in the iron(II) oxide box, propanol in the propane box), by Reduction, by Hydratation (or is it Hydration?) (ex: sulfuric acid in the sulfur trioxide box, ethanol in the ethylene box), by Dehydratation, OtherFunctionalGroup (ex: ethylamine in the ethanol box, sulfuryl fluoride in the sulfuric acid box). Albmont ( talk) 17:02, 1 April 2009 (UTC) I didn't add links because I don't want to pollute the "afluent pages" with a discussion
I am interested in extracting the information from infoboxes and putting it under RDF and CML. This is motivated in part by DBPedia's demo that WP can evolve as a machine-parsable knowledgebase as well as a human-readable encyclopedia. I appreciate that there have been more than one generation of infobox and have read {{ chembox new}} and some of the subsequent links. I have posted an initial example of a WP molecule in RDF at [1]. The information was taken from the XML representation of the information. I have a number of questions - please forgive the rather long list and also my ignorance of current WP activities or practice:
Petermr ( talk) 16:25, 31 December 2007 (UTC)
Hi Peter, interesting lead. Would you please be so kind as to explain what RDF, CML, and BNF actually mean? Wim van Dorst (talk) 17:12, 31 December 2007 (UTC).
My mistake - sorry. They all have WP entries:
More generally I think that the data in WP could be very important. I have already gone on public record as saying that I think WP chemistry will start to become the de facto standard for undergraduate chemical reference, at least for common compounds. Petermr ( talk) 17:38, 31 December 2007 (UTC)
Thanks very much, Wim. It's actually EVERYTHING in the infobox that I want (not just the InChI). Appearance, physical properties, etc. So, for example RDF allows you ask questions like "give me all compounds that are yellow and melt over 200 Celsius". I mailed Martin recently but it's holiday time... The technical questions are probably general WP-technology ones and I don't know who the Template experts are in chemistry. In principle it should be possible to extract all the chemistry automatically. A bonus is that this will automatically detect errors in syntax (and possibly in values - e.g. a constraint that Mpt must be less than Bpt can be checked). Petermr ( talk) 19:54, 31 December 2007 (UTC)
Along these lines, I've written a python program to extract wiki pages with chembox new on them, and another to extract the chemboxes from these pages so I can extract density information. FWIW, there were 3553 entries as of mid-March 2008, of which about 1600 have values entered for density. My density parser is not very clever, and I've edited a number of the wikipedia entries to fill in the gaps. It won't be enough for a complete RDF converter, but it is a start. [PAK] 69.140.172.225 ( talk) 03:08, 29 March 2008 (UTC)
extractchem.py:
"""
Extract all pages from enwiki-latest-pages-articles.xml.bz2
containing "{{chembox new", printing them to stdout.
For the 3.6 Gb compressed wiki database of March 2008, this
operation takes 100 minuits on a 2GHz pentium, yielding 3663
pages, 1653 of which have density information.
"""
import bz2
def next_page(file):
# Skip header
while True:
line = file.readline()
if line.startswith(" <page>"): break
if line == "": return []
# Read page
page = line
has_chembox = False
while True:
line = file.readline()
if "{{chembox new" in line.lower():
has_chembox = True
page += line
if line.startswith(" </page>"): break
return page,has_chembox
def process_file(ifile, ofile):
while True:
page, has_chembox = next_page(file)
if page == []: break
if has_chembox:
print >>ofile, "".join(page),
ifile = bz2.BZ2File('enwiki-latest-pages-articles.xml.bz2')
ofile = open('chempages.xml','w')
process_file(ifile,ofile)
processchem.py
# -*- coding: utf-8 -*-
# This program is public domain
"""
Process chemical pages from wikipedia.
Usage:
wget http://download.wikimedia.org/enwiki/latest/enwiki-latest-pages-articles.xml.bz2
python extractchem.py
python processchem.py
The first command downloads the latest wikipedia dump. At 3.5+ Gb, this takes
an hour or more. The next command extracts chembox articles from the dump.
This takes 1.5+ hours. The third command extracts the chembox entries and
looks at the density field. This is quick, but you will need to change it
frequently to account for variation in human input.
"""
import re
from xmlescape import xmlunescape
title_matcher = re.compile("<title>(.*)</title>")
def find_chembox(page,title):
"""
Extract a chembox from the wiki page.
"""
# Skip to start of <text> block
text = page.find("<text")
# Skip to start of chembox within <text>
start = page.lower().find("{{chembox new",text)
if start < 0: raise ValueError("Missing chembox in "+title)
k = start+13
# We are starting with a nesting level of 1. Go until the end of the
# page or until nesting level reaches zero.
nesting = 1
while True:
if k >= len(page):
# If we reach the end of the page, then we are missing }}
raise ValueError("Mismatched {{Chembox new ... }} in "+title)
return ""
elif pagek:k+2 == "{{":
# Increase nesting level on {{
nesting += 1
k += 2
elif pagek:k+2 == "}}":
# Decrease nesting level on }}
# If nesting level reaches zero we are at the end of the box
nesting -= 1
k += 2
if nesting == 0:
chembook_end = k
return pagestart:k
elif pagek:].startswith("<!--"):
# Skip escaped XML comment
k = page.find('-->',k+4)
if k < 0:
raise ValueError("Mismatched <!-- ... --> in "+title)
else:
# Default is move to next character.
k+=1
def next_page(file):
"""
Get the next title/chembox
"""
# Skip header
while True:
line = file.readline()
if line.startswith(" <page>"): break
if line == "": return None,""
# Read page
lines = line
while True:
line = file.readline()
lines += line
if line.startswith(" </page>"): break
# Convert to a long string
page = "".join(lines)
match = title_matcher.search(page)
title = match.group(1)
chembox = find_chembox(page,title)
chembox = xmlunescape(chembox.decode('UTF-8'))
return title,chembox
density_matcher = re.compile(r"\|\s*[Dd]ensity\s*=\s*([^|]*)\s*\|")
def find_density(chembox,title):
match = density_matcher.search(chembox)
if not match: return None,""
# Convert spaces
density = match.group(1)
for form in " "," "]:
density = density.replace(form," ")
# Regularize units
for form,becomes in [("·"," "),
(u"·"," "),
("−","-"),
(u"−","-"),
(u"³","<sup>3</sup>"),
(u"°",""),
("°"," "),
]:
density = density.replace(form,becomes)
for form in
"kg/dm<sup>3</sup>",
"kg dm<sup>-3</sup>",
"kg.dm<sup>-3</sup>",
"kg/dm^3","kg/dm3",
"kg/L", "kg/l",
"kg l<sup>-1</sup>",
]:
density = density.replace(form,"#mL")#"g/cm**3")
for form in
"mg/cm<sup>3</sup>",
"mg cm<sup>-3</sup>",
"mg.cm<sup>-3</sup>",
"g/L","g/l",
"g L<sup>-1</sup>",
"g.L<sup>-1</sup>",
"g/dm<sup>3</sup>",
"g dm<sup>-3</sup>",
"g.dm<sup>-3</sup>",
"kg/m3",
"kg/m<sup>3</sup>",
"kg m<sup>-3</sup>",
"kg m-3",
"kg.m<sup>-3</sup>",
]:
density = density.replace(form,"#L")#"g/L")
for form in
"g/cm<sup>3</sup>",
"g cm<sup>-3</sup>",
"g.cm<sup>-3</sup>",
"g/cm^3","g/cm3","g/cc",
"g/mL", "g/ml",
"g ml<sup>-1</sup>",
]:
density = density.replace(form,"#mL")#"g/cm**3")
density = density.strip()
# If empty return None
if density == "": return None,""
#print density,"===",title#,match.group(1).strip()
# Split into density/caveat
endvalue = density.find(' ')
if endvalue>0:
value = density[:endvalue.strip()
caveat = densityendvalue+1:].strip()
else:
value = density
caveat = ""
# Missing density?
if value in "-","?"]:
return None,caveat
# Floating point density?
try:
return float(value),caveat
except:
pass
# European decimal point ','?
try:
return float(value.replace(',','.')),caveat
except:
pass
# Value range?
try:
lo,hi = value.split('-')
return (float(lo)+float(hi))/2,density
except:
pass
# Unknown
print title,"unparsed density --> ",density
return None,density
def process_file(file):
while True:
try:
title,chembox = next_page(file)
except ValueError,msg:
print msg
else:
if title == None: break
density, caveat = find_density(chembox,title)
#if density != None: print title,density,'::',caveat
file = open('chempages.xml','rU')
process_file(file)
xmlescape.py:
# Author xmlescape: Gabriel Genellina
# Author xmlunescape: Leif K-Brooks, based on work by Aaron Swartz
# Source http://www.thescripts.com/forum/thread594350.html
# This version is modified from the original.
"""Escape special xml characters in a text string"""
from htmlentitydefs import codepoint2name,name2codepoint
import re
unichr2entity = dict((unichr(code),u'&%s;'%name)
for code,name in codepoint2name.iteritems() if code !=38)
def xmlescape(text,d=unichr2entity):
"""xmlstr = xmlescape(str)
Convert text into a form suitable for inclusion in an XML file,
with characters such as '&' replaced by &
"""
if u"&"in text:
text = text.replace(u"&",u"&")
for key,value in d.iteritems():
if key in text:
text = text.replace(key,value)
return text
def _replace_entity(m):
"""regular expression character replacement function for xmlunescape.
"""
s = m.group(1)
if s0 == u'#':
s = s1:]
try:
if s0 in u'xX':
c = int(s1:], 16)
else:
c = int(s)
return unichr(c)
except ValueError:
return m.group(0)
else:
try:
return unichr(name2codepoints])
except (ValueError, KeyError):
return m.group(0)
_entity_re = re.compile(r"&(#?[xX]?(?:[0-9a-fA-F]+|\w{1,8}));", re.UNICODE)
def xmlunescape(s):
"""str = xmlunescape(xmlstr)
Replace XML entities with original ISO characters.
"""
return _entity_re.sub(_replace_entity, s)
if __name__ == "__main__":
s = "<>&;"
xmls = xmlescape(s)
uns = xmlunescape(xmls)
print "%s => %s => %s"%(s,xmls,uns)
The standard style on Wikipedia is to avoid unnecessary capitalisation: see Wikipedia:Manual of Style (capital letters). So "Material Safety Data Sheet" should become "Material safety data sheet". It's already capitalised this way in the main article ( Material safety data sheet). The only reason I don't do this myself is lack of time to deal with the consequent broken links. Hairy Dude ( talk) 15:53, 6 January 2008 (UTC)
Hi all, since 2005, we formally use the wikitable formatted {{ chembox}}. Approximately a year ago, the {{ chembox new}} was developped for transcluded instead of substituted tables. During 2007, several problems with the transcluded were solved, and overall it was well enhanced, up to the point that last November quietly the old template was adjusted to work for the new template (Thanks, Dirk, PC). I have not been including many chemboxes in new articles recently, but on the whole I have the impression that all practical problems with the {{ chembox new}} have now been solved. That would now allow the discussion to formally move away from the old-style to the new-style, including updating the project page. Any comments? Wim van Dorst (talk) 17:01, 6 January 2008 (UTC).
Is there any consensus as to whether infoboxes like NatOrganic or LabChemical will be taken under the general Chemical infobox? I occasionally see these kinds of infoboxes, but don't know why they are differentiated from other chemicals. It also seems that a lot of inorganics don't have infoboxes, is that just my perception? Casforty ( talk) 04:24, 10 September 2008 (UTC)
It appears that the template automatically creates a link for pKb and points to Acid_dissociation_constant.
I didn't find that link to be helpful.
I clicked the "Basicity" link in the table of properties here Sodium_hydroxide. It took me to Acid_dissociation_constant, where the word "basicity" appears only once -- and without definition.
I was familiar with pH, but not pKa or pKb.
My suspicion as to the meaning of "basicity" was encouraged here:
where the word appears only twice, but contains this:
Which, when combined with this:
leads to the (perhaps erroneous) conclusion that, except for strong bases (which Sodium_hydroxide may or may not be):
That was a long way around to come to an uneasy conclusion.
And pH is a quantity for an aqueous solution. Can a solid have a pKb value? Is the pKb value of -2.43 for Sodium_hydroxide at the point of maximum Solubility in water (111 g/100 ml at 20°C)? If so, it might helpful to note that the tabulated pKb value is given for the point of tabulated maximum solubility (which is temperature-dependent). - Ac44ck ( talk) 18:29, 8 January 2008 (UTC)
I think it would be helpful if you included an explanation of how to manage the pictures (i.e. ImageFileL1 vs ImageFileR1), as I was unable to convert an older chembox template's layout to this one without an extensive search for an example. XarBiogeek ( talk) 22:24, 13 January 2008 (UTC)
A problem with a chemical formula in the currect version [3] of Solanine (if you see a "[show]" link in the "InChI" field then click it) was reported at Wikipedia:Help desk#Problems displaying this Wikipedia page in Firefox. In my Firefox (and Opera but not IE or Google Chrome), a long string without certain characters (spaces, slashes, maybe others) doesn't cause line wrap but instead lengthens a line or widens an infobox. The problem here was the parameter (apparently an International Chemical Identifier):
StdInChI = 1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23?,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41+,42-,43+,44-,45-/m0/s1
Above it's written with a leading space so no line wrapping is supposed to occur. Here is the same source line without a leading space:
StdInChI = 1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23?,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41+,42-,43+,44-,45-/m0/s1
In my Firefox and Opera, it only wraps at slashes and this part is displayed on one line going off the right edge of my screen:
c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42
Is there a chemical rule requiring such strings to be written without spaces or something else that will allow line wrapping? Even if there is such a rule, I think it's better to break it than to break a page display for readers with common browsers, at least when the result is as bad as the infobox in Solanine. PrimeHunter ( talk) 01:45, 28 January 2011 (UTC)
Is it necessary to issue the same warning twice? Once before the main text body and once more inside it. I think only one of these should be used, preferably the one inside the text body. Nutster ( talk) 04:11, 13 February 2011 (UTC)
Just looking at Aspartame and I noticed that there is an unverified change. What particularly drew my attention is that the ticks are (correctly) not linked, but the red cross next to the KEGG entry is linked.
I'd submit an {{
editprotected}} request, except I can't work out where the cross actually is in the code. Could someone more familiar with the template locate the cross images (both the one next to the field in question and the one in the footer) and add |link=
to the end of the [[Image:]]
or [[File:]]
call?
Thanks! — OwenBlacker ( Talk) 20:40, 17 February 2011 (UTC)
That really seriously needs to be an optional parameter. Rememberway ( talk) 18:32, 30 March 2011 (UTC)
There was an unanimous support from the wp:WikiProject Pharmacology to merge Template:Drugbox into chembox (see Template talk:Drugbox#Advantages of a drugbox/chembox merger). Therefore, I'd like to ask here at the chembox side, is this a good idea? Mikael Häggström ( talk) 15:55, 8 May 2011 (UTC)
With the WP:STRATEGY of making it easier for newcomers in mind, I propose making chemboxes as separate templates, so that, when pressing an article's edit button (such as that of methanol), a {{Template:(chemname)-chembox}} is shown at the top of an article, followed by a hopefully humanely presented intro text, rather than the daunting wiki-syntax that currently overwhelms the poor editor. (This has been supported for the drugbox at talk:Drugbox#Make separate templates of drugboxes.) Mikael Häggström ( talk) 16:16, 8 May 2011 (UTC)
Policy or guidelines don't allow for links from article to WikiProjects yet this template has one. Can we have it changed? -- Alan Liefting ( talk) - 09:30, 18 May 2011 (UTC)
It appears the external system that does the JMol 3D images (based on infobox SMILES=
parameter) does not work correctly for multicomponent compounds that have specific geometric relationships for the components. For example,
ferrocene and
chromocene are rendered with the two Cp rings and the metal atom all coplanar rather than the actual positions and orientations of the sandwich compound. That makes sense, because
SMILES is only connective data for individual components, not geometric relationships among separate components. So we need a field that can provide additional/alternative data to feed to the JMol engine (or if that cannot be done easily, a field to cause the infobox to suppress the JMol field).
DMacks (
talk) 17:23, 17 September 2011 (UTC)
The chembox for the caffeine article is absurdly, ridiculously long. I would like to move a lot of the information, such as the Identifiers, Properties, Hazards, and multiple pictures, onto a separate data page, but as far as I can see the template provides no support for doing so. Is there any reasonable way of handling this sort of problem? Looie496 ( talk) 21:11, 23 September 2011 (UTC)
Should the LD50 be included in the chembox? Whoop whoop pull up Bitching Betty | Averted crashes 22:07, 30 September 2011 (UTC)
A prototype merged chem/drug box based on the {{
infobox}} system has been written ({{
Chembox Drug/sandbox}}) and one example can be seen
here (left right-side testcase). In common with the current chembox, the order to the sections can been changed. What is new is that each of the sections has an optional "State" parameter that can be set to "collapsed" or "expanded". In addition, an "path" parameter may be added that supports special purpose transcluded templates (see the "v · d · e" links at the bottom of the example). At the moment the IUPAC Name and a short Chemical Properties sections are hard wired to appear at the beginning of the infobox in an expanded state.
Please note that this is very much a prototype template and there is a great deal of more work needed to handle special cases, debugging, and most importantly making sure that a majority of both the Chemical and Pharmacology Project members are happy with the template.
Boghog (
talk) 11:26, 2 October 2011 (UTC)
Are you going to merge the Chemical data and Properties sections? At the moment, formula and mass occur twice. The caption "Chemical data" would be better in my opinion because it is more specific, and because (for drugs) it nicely matches "Clinical data" and "Pharmacokinetic data". -- ἀνυπόδητος ( talk) 18:19, 2 October 2011 (UTC)
Would it make sense to add a field to the properties section for listing the dynamic viscosity of the chemical at a specific temperature? Regards, RJH ( talk) 15:02, 13 October 2011 (UTC)
Is there a way to make the {{chembox}} template check for the {{DISPLAYTITLE:}} template's name in the body of the article for the article title? That is, before the chembox template automatically uses the article name itself? Many chemicals have italicized lettering for cis/trans etc., which would be more proper of the heading box in chembox, using as it does the chemical name for the molecule in question. Nagelfar ( talk) 20:36, 16 November 2011 (UTC)
The section immediately above and the discussions here and here illustrates a general problem that we are facing in articles where the subject is both notable as a drug and as a chemical. One potential solution is to (1) merge the {{ drugbox}} into the {{ chembox}}, (2) make various sections of the merged infobox optionally collapsible, and (3) provide some flexibility in the order that sections are displayed (e.g., current order for chemicals that are not drugs but clinical section near the top for chemicals that are drugs). There is consensus from WP:PHARMA for this merger. Finally while we are at it, it would be good if the chembox could be updated to use the more modern {{ infobox}} system which offers a cleaner, less clutter syntax and a built in mechanism for special purpose templates (where each chemical would have a separate page for its chemical template that is transcluded back into the chemical article as proposed here). I realize that implementing this proposal will require a substantial effort, but I think the long term benefits justify the effort. Is there support from WP:CHEMS for such an undertaking? Boghog ( talk) 03:07, 26 September 2011 (UTC)
(outdent) Template talk:Drugbox/Archive 7#Single chemical drugs provides an example for policosanol with a chembox. However, if the chembox would be redesigned to use {{ infobox}} as Boghog proposed above, it would probably look more loke the present drugbox. -- ἀνυπόδητος ( talk) 09:04, 28 September 2011 (UTC)
Would the Wikpedia community be interested add reference to the Crystallography open database (COD, http://www.crystallography.net)? Data in COD come from peer-reviewed scientific press, the database is free (as in freedom), and we offer persistent URIs to link to HTML pages or CIF format files (like http://www.crystallography.net/7050897.html for Aspirin or http://www.crystallography.net/2001546.html for Ibuprofen). The COD number (uniquely assigned persistent identifier) could be quoted in Chembox, linking to the appropriate crystal structure HTML page or file. Saulius Gražulis, grazulis at ibt dot lt, 158.129.151.7 ( talk) 15:23, 10 January 2012 (UTC)
As I used the chemical infobox as an example what could be possible for my idea of meta:GlobalTemplates I just wanted to let you know of it. Matthias M. ( talk) 17:36, 15 January 2012 (UTC)
An editor has asked for a discussion to address the redirect Organic table information & Inorganic table information. Since you had some involvement with the Organic table information Inorganic table information redirect, you might want to participate in the redirect discussion (if you have not already done so). 76.65.128.132 ( talk) 05:39, 20 January 2012 (UTC)
See Wikipedia:Categories for discussion/Log/2012 January 22#Category:Chemical pages which do not have a ChemSpiderID. -- ἀνυπόδητος ( talk) 09:23, 22 January 2012 (UTC)
What's the general philosophy on how much information to display in the chembox? I ask because for the article psilocybin, another user recently expanded the chembox to now include physical data that I cannot easily verify, and which isn't mentioned in the article text itself (like boiling point, log P, acidity, basicity and others). I don't know whether to trim some of this info, or leave it in under the assumption that it might be useful to someone sometime. If there is info in the chembox not in the text, should this also be cited inline? Sasata ( talk) 19:29, 29 November 2011 (UTC)
1. I think you should DEFINITELY cite it if not cited in text (ideally, would cite both places, given the template issue)
2. Yes, there definitely should be stuff in the infobox that is not discussed in the text. It is just a data table. Let's say we had a table at the END of an article. It would have some listed data that was not discussed in prose. Putting in a table is a very efficient way to handle some factoids like that. Same thing applies with articles on cities (they will have some details like lat longs or the like that is not in article).
TCO ( talk) 04:11, 30 January 2012 (UTC)
The Chembox info is excellent, could PDB info be added to it? ie a link to macromolecular structures which contain a particular molecule. Just a link to the Compound browser would be needed, eg Choline or biotin to be continuously up to date with the PDB archive. I have a mapping between Inchi and the PDB three letter ligand code which would aid doing it automatically. A2-33 ( talk) 17:39, 30 January 2012 (UTC)
Can we add more information such as heat of fusion, heat of vaporization,...?-- Kc kennylau ( talk) 09:38, 8 February 2012 (UTC)
The Chembox DrugBank link currently points to for example (see Levothyroxine):
which is broken. The following link works:
I would appreciate if someone would fix this. Thanks. Boghog ( talk) 05:45, 9 April 2012 (UTC)
I have noticed that for the most part, properties in the Chemical Infoboxes do not have references. The Infobox Reference link at the bottom gives a link to a list of generic references. Are these the only sources for the properties in the Infobox? If so, some of them are a bit out of date (7th edition of the Merck Index for example - I'm working from the 10th and feeling out of the mainstream).
Also, I have noted several places, notably Phosphorus tribromide where there is a picture of a bottle containing a liquid. The documentation for the photo indicates that it is PBr3 - but it could just as easily be water. Is there any real need for something like this on a generic liquid like this? I can see including a photograph if the compound had some interesting feature, but otherwise, I'm not sure that it adds much value. JSR ( talk) 13:00, 14 June 2012 (UTC)
Has anyone noticed that an editor is systematically removing names from Chemical Infoboxes? He puts a citation needed reference on the name and then 1.5-2 months later, he removes them or demotes them to other names if they were originally listed as an IUPAC name. JSR ( talk) 19:38, 30 June 2012 (UTC)
The painful line wrap problem is still there, and in some cases the chembox extends so wide that its left side extends outside the viewport and/or under the left-side menu. This is a problem in older browsers (that use Gecko 1.8.1 like SeaMonkey 1.1 and Firefox 2) that support CSS well, and newer browsers when JavaScript is turned off either manually or with NoScript. The template appears to lack effective line wrap code to deal with it.
http://toolserver.org/~cbm/20090127b.png shows a horizontal scrollbar (in Firefox 2.0, possibly from using overflow in CSS), which should be the solution for very long names. An earlier discussion here mulls the use of a zero-width space (​), but there was no definitive decision taken. For example, in Oxytocin I added zero-width spaces (not knowing where exactly to position them) to the IUPAC name, but left the InChI name as is. - Mardus ( talk) 00:17, 20 May 2012 (UTC)
Names | |
---|---|
IUPAC name
aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa
| |
Except where otherwise noted, data are given for materials in their
standard state (at 25 °C [77 °F], 100 kPa).
|
Names | |
---|---|
IUPAC name
aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa-aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa
| |
Except where otherwise noted, data are given for materials in their
standard state (at 25 °C [77 °F], 100 kPa).
|
I have concerns about the use and accessibility of {{ R-phrase}}. Please join the discussion. Andy Mabbett (Pigsonthewing); Talk to Andy; Andy's edits 11:17, 20 August 2012 (UTC)
Seen in article BINAP. Tried to remove the InChI and StdInChI lines, and the article displayed as it should. I can't do anything from my side here, unfortunately. Maybe they will even have to include a fix in their template themselves. -andy 77.191.33.193 ( talk) 12:40, 20 December 2012 (UTC)
is anyone in favor of adding electroconductivity to the chembox? I could see this as useful information that one may want to have immediately present when visiting a page. I've been spurred to action because I myself have been scouring the internet for hours looking up various compounds and whether or not they were electroconductive. I couldn't help but think how much easier it would have been to have a simple yes/no box or even something a bit more detailed (if any of you are feeling ambitious)
Nxtfari ( talk) 05:57, 14 January 2013 (UTC)
Hi... I was editing niobium(V) ethoxide and ran into a problem here - notice the invalid ref. I figured out that the problem was that the solubility parameter in the chembox was in the section for chembox thermochemistry rather than in the chembox properties section. Looking at the chembox template documentation, it shows parameters solubility, solubleother, and solvent under chembox thermochemistry in the full form version but under chembox properties for the medium form version. I presume this is easy enough to fix, and I presume that the latter is correct. However, if you look at Template:Chembox Properties you'll find that has not solubleother parameter, but it does have solubilityother. So, I suspect that the properties template has had parameters changed but the overall chembox documentation does not match. Would someone who is good with untangling templates please sort out the documentation?
Secondly, it seems to me there is a problem that a bot could fix in sorting this out in article space, moving any solubility and solvent parameters within chemboxes from the chembox thermochemistry section to the chembox properties section. Any occurences of the solubleother parameter need to be changed to solubilityother and likewise moved to the chembox properties section. Does that sound right?
Thirdly, is this the only time when a problem like this has been created by renaming parameters and/or moving them between chemboxes, because if it isn't then it would be good to fix those too. My knowledge and understanding of templates is poor, hence my request for others to sort it out rather than trying myself. Many Thanks, EdChem ( talk) 10:52, 2 December 2012 (UTC)
Note that there is currently a BRFA open for this task. Any input is welcome (particular if you know a reason why this bot should not go ahead) -- Chris 14:25, 17 December 2012 (UTC)
Follow-up thought: I've noticed a number of pages have both the EINECS parameter and the Ec-number parameter completed, which simply leads to a double entry of identical information in the infobox (see this version of the tantalum(V) ethoxide article, for example). The EINECS article confirms these parameters refer to the same identifying property. Would it be appropriate to (a) note in the documentation that only one of these parameters be completed (b) have a bot remove all the duplicates and remove the blank parameter when the other is completed? Perhaps even have a bot consolidate all the entries under a single parameter and we remove the other from the template? It just seems to me that duplication in who knows how many templates is pointless, and keeping both parameters just means that more duplicates will be introduced in the future. Thoughts? EdChem ( talk) 00:06, 18 December 2012 (UTC)
Why isn't Gibbs free energy of formation included, when enthalpy of formation is? It's an important number for checking feasibility of reactions and estimating the temperature at which the Gibbs free energy of a reaction changes sign (using ΔH/ΔS which equals 298.15K×ΔH/(ΔH−ΔG), see Ellingham diagram). Eric Kvaalen ( talk) 14:14, 22 January 2013 (UTC)
We need additional fields for sublimation points and triple points. Currently, carbon dioxide and acetylene are making do in mutually exclusive ways. DS ( talk) 02:15, 29 March 2013 (UTC)
The rule
is not considered in the chembox (see e.g. Chlorosilane). -- Leyo 08:50, 5 April 2013 (UTC)
Hi,
Why is there en entry for LD50 and not an entry for LC50? It could be of importance too...
-- XonqNopp Tk 06:48, 17 April 2012 (UTC)
There really should be one for LD50, LC50 and LCt50. Just use whichever is the most appropriate. — Preceding unsigned comment added by 121.45.221.149 ( talk) 02:37, 11 May 2013 (UTC)
Could we change some details in design of this infobox? For example:
I think it will be better to watch and shouldn't destroy the content, like here - Glade Interface Designer. -- Rezonansowy ( talk) 21:56, 11 May 2013 (UTC)
This
edit request has been answered. Set the |answered= or |ans= parameter to no to reactivate your request. |
Please, change these things:
-- Rezonansowy ( talk) 21:47, 8 July 2013 (UTC)
This
edit request to
Template:Chembox Properties has been answered. Set the |answered= or |ans= parameter to no to reactivate your request. |
The Parameter is still in this template but belongs into { http://en.wikipedia.org/wiki/Template:Chembox_Structure structur subtemplate] where it already is listed and inplemented so it just has to be deleted here.
Saehrimnir ( talk) 20:02, 11 July 2013 (UTC) — Preceding text originally posted on Template talk:Chembox Properties ( diff)
Hi I started this discussion.-- Saehrimnir ( talk) 05:48, 22 July 2013 (UTC)
Lua enables finding articles with template parameter name errors. I implemented this into the de-WP version of the chembox and other templates. The affected articles are categorized. The display of error messages may be restricted to autoconfirmed users ( MediaWiki:Group-autoconfirmed.css would need to be created), since we do not want readers to see them. The TemplateTiger query does a similar job, but is usually outdated. Thoughts? -- Leyo 16:30, 5 September 2013 (UTC)
This
edit request to
Template:Chembox Identifiers has been answered. Set the |answered= or |ans= parameter to no to reactivate your request. |
I think it would be useful to also include the E number for food additives in this template. It's a very common identifier used on food labels in Europe. -- intgr [talk] 16:06, 13 October 2013 (UTC)
{{
edit protected}}
template. Also, prior to determining consensus, please put your proposed modification into
the template's sandbox and demonstrate at
the template's testcases. More information at
WP:TESTCASES. --
Redrose64 (
talk) 19:52, 13 October 2013 (UTC)It has been more than a year since a similar error was reported in the section "Use minuses instead of hyphens for negative values", and nothing has been done to fix the Chembox properties template. A similar error is that a hyphen is used instead of an en dash to indicate a range of temperatures when values are provided for MeltingPtFL and MeltingPtFH or BoilingPtFL and BoilingPtFH, or if the temperatures are given in K or °C. I could give it a shot, but if you think that would probably work out well, you really shouldn't be using nitrous oxide and working in Wikipedia at the same time. Chris the speller yack 02:31, 11 December 2011 (UTC)
This
edit request to
Template:Chembox Properties has been answered. Set the |answered= or |ans= parameter to no to reactivate your request. |
Hi! In chemboxes, ranges (of temperature, for instance) are separated by a hyphen (-). They should use the en dash (–), as explained on en (typography). Thank you! Nirmos ( talk) 01:21, 4 November 2013 (UTC)
{{
edit protected}}
- the part that presently says <!-- Page to be edited -->
- so it's not clear which page you wish to be modified. I cannot assume that it's
Template:Chemical infobox either, because there is no template of that name. If you look at
the previous section of this page in edit mode, you'll see that it begins {{
edit protected|Template:Chembox Identifiers|answered=yes}}
, so I was able to determine that a modification to
Template:Chembox Identifiers was desired, but I cannot be certain that this request concerns the same template. --
Redrose64 (
talk) 09:53, 4 November 2013 (UTC)
{{
edit protected}}
template. I think that
Wikipedia talk:WikiProject Chemistry should be informed and have their chance to comment. --
Redrose64 (
talk) 14:09, 4 November 2013 (UTC)
This
edit request has been answered. Set the |answered= or |ans= parameter to no to reactivate your request. |
Last edit was not discussed, and there is no reason to use {{ Convert}} to a value which is the same on all pages. And the text should not be "standard state (at 25 °C or 77 °F, 100 kPa)". It is not a "or", its the same value, so it should be like "standard state (at 25 °C (77 °F), 100 kPa)". Christian75 ( talk) 10:03, 17 December 2013 (UTC)
In this decline at Wikipedia talk:Chemical infobox, you were looking at the direct namespace match Wikipedia:Chemical infobox. That talkpage is also used for the whole Template:Chembox suite of spaghetti. The request was probably talking about this last edit. DMacks ( talk) 15:13, 17 December 2013 (UTC)
{{
edit protected}}
and similar templates, the first positional parameter should be used to specify the name of the page that is to be edited, when that is different from the {{SUBJECTPAGENAME}}
. I had already explained that at
Wikipedia talk:Chemical infobox#En dash for ranges. --
Redrose64 (
talk) 15:18, 17 December 2013 (UTC)
Please compare the chembox in Niobium(V) ethoxide and Tantalum(V) ethoxide (todays versions). In the first one, the text in the value are tight to the vertical border (to their left); in the second chembox there is one pix of space. The second one looks good. Probably somewhere in a subtemplate a "padding" or "cellpadding" is set to 0. - DePiep ( talk) 08:27, 20 December 2013 (UTC)
The GMD has GC-MS spectra identifying 67 spectra in the list of biomolecules. I would like to link to these GC-MS spectra. I thought the best for this would be in the data page of a molecule, which leaves me with some questions: Do I replace the MS link on the data page? Or add a GC-MS link and keep the MS link? Just as an example: /info/en/?search=Alanine_(data_page)
Secondly, how do these data pages work. Is there a template for new new pages? Does the information on this page get processed and shown in the "Supplementary Data Page" section of the {{ chembox}}? Billiauk ( talk) 15:21, 27 November 2013 (UTC)
Notification: |DeltaGf=
for
Gibbs free energy is added to {{
Chembox Thermochemistry}}, working. -
DePiep (
talk) 11:33, 2 March 2014 (UTC)
- DePiep ( talk) 00:21, 5 March 2014 (UTC)
In {{ chembox}}, we can show temperatures for melting point, boiling point, flash point and autoignition temperature. Their value can be in plain text (any text), or calculated into °C, °F, and K from a single value (in C, F or K). Calculating & formatting was changed in December 2013 ( [5]), now using {{ convert}}. Below is a next set of related changes I propose, a follow-up. I have added demo's and a preliminary documentation below. - DePiep ( talk) 18:43, 26 December 2013 (UTC)
|MeltingPtPrefix=
and |Melting_ref=
to allow correct inputFlashPt
and Autoignition
the same set of options|MeltingPtC=50
→ 50 °C; 122 °F; 323 K -- Current format|MeltingPtC=50
→ 50 °C (122 °F; 323 K) -- Example, input in °C. Using brackets is an option (once for all temps, all chemboxes)|MeltingPtC=50
|MeltingPtCH=50
→ 50 to 75 °C (122 to 167 °F; 323 to 348 K) -- Range calculated from °C will have brackets too|MeltingPtF=122
→ 50 °C; 122 °F; 323 K -- Example, input in °F (brackets not an option; same for K input)|MeltingPtCL=
are deprecated (kept, but removed from documentation). |MeltingPtC=
does the same job already. Reduces documentation and complexity.Any comments, questions? Preference in the bracket question? - DePiep ( talk) 18:43, 26 December 2013 (UTC)
Below is a preliminary documentation (and background) for the parameters & their effects.
Properties | |
---|---|
Melting point | 75 °C (167 °F; 348 K) |
Boiling point | Unknown |
Hazards | |
Flash point | 10 °C; 50 °F; 283 K |
38 °C; 100 °F; 311 K | |
Except where otherwise noted, data are given for materials in their
standard state (at 25 °C [77 °F], 100 kPa).
|
A | Unknown | using plain text, no calculations |
B | Unknown[1] (desintegrates) | using plain text, a ref, and a note |
C | 50 °C; 122 °F; 323 K | using number input, calculate temperatures |
D | ± 50 °C; 122 °F; 323 K[1] (desintegrates) | using number input, additional texts |
E | 50 to 75 °C; 122 to 167 °F; 323 to 348 K[1] (not confirmed)[2] | temperature ranges from input |
d1 | <_50 °C; 122 °F; 323 K[1]_some note[2] | Complete output, one temperature |
d2 | ±_50 to 75 °C; 122 to 167 °F; 323 to 348 K[1]_some note[2] | Temperature range |
d3 | prefix_calc temp's from numeric input[reference 1]_notes[reference 2] | Descriptive input |
d4 | Using plaintext only | Plain text. No numbers, no chembox calculations |
d5 | Using plaintext only[reference 1]_notes[reference 2] | Using plaintext (no numerics), and additional parameters |
Plain text | |||
---|---|---|---|
i1 | |MeltingPt=
|
Any plain text and 30 °C (303 K) | |
Temperatures, calculated | |||
i2 | |MeltingPtC=100 |
50 °C; 122 °F; 323 K | Temp's calculated from single number input in °C |
i3 | |MeltingPtF=100
|
38 °C; 100 °F; 311 K | Temp's calculated from single number input in °F |
i4 | |MeltingPtK=100
|
−173 °C; −280 °F; 100 K | Temp's calculated from single number input in K |
Any C, F or K number input overwrites plaintext input |MeltingPt=Any text
| |||
i6 | |MeltingPtC=50 |MeltingPtPrefix=<
|
<_50 °C; 122 °F; 323 K | PtPrefix : used for any number input; a space is added
|
i7 | |MeltingPtC=50 |MeltingPtF=100 |MeltingPtKH=350
|
Only one temperature unit can be used. But "MeltingPtC" and "BoilingPtF" may be used together | |
Temperature ranges, calculated | |||
i8 | |MeltingPtF=50 |MeltingPtFH=60
|
10 to 16 °C; 50 to 60 °F; 283 to 289 K | Adding _FH will show a range. _F is the low end, _FH is the high end
|
Additional input | |||
i9 | |Melting_ref=<ref>{{cite web|url=...}}</ref>
|
50 °C; 122 °F; 323 K[1] | Reference, added right after "...K "
|
i10 | |Melting_notes=''(some note)''
|
50 °C; 122 °F; 323 K_(some note) | Any text notes; a space is added, but no brackets |
i11 | |Melting_notes=
|
50 °C; 122 °F; 323 K_(some note)[2] | A final ref can be added in this parameter |
i12 | |MeltingPtF=50 |MeltingPtFH=60 ...
|
±_10 to 16 °C; 50 to 60 °F; 283 to 289 K[1]_some note[2] | Ranges, with all options |
i13 | |MeltingPtC=50 |MeltingPtPrefix=< |Melting_ref=<ref>Re source</ref> |Melting_notes=some note
|
<_50 °C; 122 °F; 323 K[1]_some note | Complete output, one temperature |
i14 | |MeltingPtC=50 |MeltingPtPrefix=< |Melting_ref=<ref>Re source</ref> |Melting_notes=
|
50 °C; 122 °F; 323 K[1]_some note[2] | A final ref can be added to the _notes
|
All parameters for Melting, Boiling, Flash, Autoignition
| ||
---|---|---|
|
{{See newer section #Improved temperature options in Chembox below. - DePiep ( talk) 00:21, 5 March 2014 (UTC)- DePiep ( talk) 00:21, 5 March 2014 (UTC)
The ATC code parameter doesn't appear to be displaying correctly anymore. I don't know if it broken in every instance of its use, but I've seen it in several articles ( thiamine, for example). Perhaps, the edits by @ DePiep: to {{ Chembox Identifiers}} on March 15 are involved. -- Ed ( Edgar181) 00:33, 23 March 2014 (UTC)
I've been working on the NFPA diamond in chembox. The diamond now is centered, has codes wikilinked (clickable), and some whitespace below (white line) is removed.
Pages with unknown codes are listed in
Category:Articles with unknown NFPA 704 code. Initially, this category had 34 entries. After removing wrong codes (like |NFPA-R=0
), remaining entries could not be corrected directly (I found some codes NFPA-O=E, removed as non-existant. Should "E" be added to the list though? Electicity?). Needed is:
|NFPA-F=?
(question mark). NFPA-O defaults to blank already.|NFPA_Ref=
will be added. The reference link (like [7]) will show next to the diamond (not in the diamond).|NFPA-F=
, three times). I am not sure that this is according to NFPA guidelines. We could set it to default to blank. Anyone knowing more?These I will add the two options shortly. In the future, the basic diamond ideally will be merged with the {{ NFPA 704}} out-of-chembox diamond, to reach similar appearance everywhere.
The works continue. - DePiep ( talk) 08:53, 20 March 2014 (UTC)
This
edit request to
Template:Chembox Thermochemistry has been answered. Set the |answered= or |ans= parameter to no to reactivate your request. |
Please add Gibbs free energy of formation. It's an important number for checking feasibility of reactions and estimating the temperature at which the Gibbs free energy of a reaction changes sign (using ΔH/ΔS which equals 298.15K×ΔH/(ΔH−ΔG), see Ellingham diagram). The name DeltaGf has been suggested for this. There are three other properties that have been suggested, namely SolutionEthalpy, VaporizationEnthalpy, and MeltingEnthalpy. (See [6].) Eric Kvaalen ( talk) 12:13, 5 February 2014 (UTC)
Eric Kvaalen. To me, it looks like this |DeltaGf=
does not work. Could you use it?
Some demo values from
carbon monoxide plus a DeltaGf added:
|DeltaHc=−283.4 kJ/mol
|DeltaGf=some_delta_gf_value
In the chembox (sandbox trial now):
Thermochemistry | |
---|---|
Heat capacity (C)
|
29.1 J/K mol |
Std molar
entropy (S⦵298) |
197.7 J·mol−1·K−1 |
Std enthalpy of
formation (ΔfH⦵298) |
−110.5 kJ·mol−1 |
Gibbs free energy (ΔfG⦵)
|
some_delta_gf_value |
Std enthalpy of
combustion (ΔcH⦵298) |
−283.4 kJ/mol |
Except where otherwise noted, data are given for materials in their
standard state (at 25 °C [77 °F], 100 kPa).
|
So this is wrong. I hope there are no pages with this error. I can do the template, if you help me with the chemistry. Can you tell me what the text in the lefthand cell should be, for this DeltaGf? " Gibbs free energy ΔG" maybe? - DePiep ( talk) 11:44, 24 February 2014 (UTC)
kJ·mol−1
by default. This can be overwritten by the editor: |DeltaGf_unit= kW
→ 100 kW (example). Is this OK?Done, with other changes in {{ Chembox Thermochemistry}}~, see documentation there. (Sequence, sp, fmt). - DePiep ( talk) 08:26, 2 March 2014 (UTC)
Eric Kvaalen. While we are at it, are Solution Ethalpy, Vaporization Enthalpy, and Melting Enthalpy you mentioned to be added (or are they disputed)? Please suggest parameter name, wikilink page, lefthand-text, and relevant notes. My first guesses (edit them here it you like):
|SolutionEnthalpy=
|VaporEnthalpy=
|MeltingEnthalpy=
- DePiep ( talk) 11:44, 24 February 2014 (UTC)
Proposals | ||||
---|---|---|---|---|
Parameter | Lefthand text | Value (example) | Default unit | Note |
|DeltaGf= |
Discuss above | |||
|SolutionEnthalpy= |
Enthalpy change of solution ΔH |
? | ||
|VaporEnthalpy= |
Enthalpy of vaporization ΔHvap | ? | ||
|MeltingEnthalpy= |
? |
Note done: not clear enough. - DePiep ( talk) 08:28, 2 March 2014 (UTC)
In {{ chembox}}, we can show temperatures for melting point, boiling point, flash point and autoignition temperature. Their value can be in plain text (any text), or calculated into °C, °F, and K from a single value (in C, F or K). Calculating & formatting was changed in December 2013 ( [8]), using the renewed (Lua) {{ convert}}. Below is a next set of changes I propose for these four temperature values. I have added demo's and a preliminary documentation below. - DePiep ( talk) 00:19, 5 March 2014 (UTC)
Brackets in temperature values formatThe output format will be: 50 °C (122 °F; 323 K) when temperature is defined in °C.
Demo:
|BoilingPtF=100 (in F)Endnotes not bracketed, allow referenceToday,
The editor is in control of the output.
Demo:
(the references here are constructed for the example. One should use <ref> ... </ref> tags).
|Boiling_notes=''(Another note)''<sup>[ref3]</sup> Prefix before numbersWhen temperatures are calculated, there can be no prefix added. New
Demo:
|BoilingPtC=100 Flash point and Autoignition temperature: same full set of optionsFlashpoint and Autoignition temperature will get exactly the same set of parameters. That is, the new
Demo:
Unchanged
Deprecated parameters will be supported (but not documented). Tracking & maintenance categoriesCategory:Chemboxes with conversion issues lists articles that contain errors or checks:
Category:Chemboxes with temperature notes
Category:Convert error categories
More technical testcases are in Template:Chembox MeltingPt/testcases. Parameter list
|
{{
Convert}} now automatically handles ranges, so we can scrap some of the fooH=
fields. Compare:
legacy separate second parameter if range | |||||
|
| ||||
range passed as single parameter | |||||
|
|
Note that this is already available in {{ Chembox Properties}} and anywhere else that relies on the low-level {{ Chembox CalcTemperatures}} template for conversion and formatting. However, we should standardize the display syntax. If "to" is the preferred range signifier (and I do agree with that rather than the default "whatever the value uses", which would be some form of hyphen/dash as I assume one would most likely use in the value), I'm not sure {{ convert}} supports that yet...
{{
convert|10|to|15|C|C F K}} |
10 to 15 °C (10 to 15 °C; 50 to 59 °F; 283 to 288 K) |
{{
convert|10-15|C|C F K}} |
10–15 °C (10–15 °C; 50–59 °F; 283–288 K) |
{{
convert|10 to 15|C|C F K}} |
10 to 15 °C (10 to 15 °C; 50 to 59 °F; 283 to 288 K) |
{{
convert|10-15|to|C|C F K}} |
convert: invalid number |
{{
convert|10-15|to| |C|C F K}} |
convert: needs another number |
Passing the range-token without a second value (or with a null second value) doesn't work. Is there a named parameter we can use? DMacks ( talk) 04:20, 5 March 2014 (UTC)
|MeltingF=-50--30
→ −46 – −34 °C; −50 – −30 °F; 228–239 K. -
DePiep (
talk) 13:34, 5 March 2014 (UTC)
Changes in the {{ Chembox}} templates.
|data page pagename=
to set overrule the default "pagename (data page)".|style-left-column-width=40%
. This can be set in main Chembox.|width=
. Default is 22em. With these two sizes settings plus individual image size setting, you can play with the layout.|ImageSizeL1=80px
, usually for stranger image proportions.|width=
and |style-left-column=
. Best is to avoid individual settings. (note: this sizing required an empty row below the whole box, slightly visible. I find that acceptable given to other improvements is brings).Two suggestions:
–– Agyle ( talk) 20:20, 31 March 2014 (UTC)
There is a white box in the bottom of the infobox. Why? (mistake?) Christian75 ( talk) 15:55, 1 April 2014 (UTC)
|style-left-column-width=50%
, a chembox parameter (top level, not a section thing).|width=
, for the infobox (default=32em).|show_ss_notice=no
. Editor in control, to not add when nonsensical). I could not make the prose sentence into two boxes. And last time I changed the brackets in this row, there was a riot for no-consensus so I'm staying away from that.Couldn't Mohs scale of mineral hardness be included in this template? - Technophant ( talk) 03:39, 5 April 2014 (UTC)
|MohsHardness=
(expect 0–>10 dimensionless; with decimals)Mohs hardness | 9.5 |
In {{ Chembox image sbs cell}} the default size is |sizedefault=200px, why not remove this line? If we do so the defaultsize is the thumbnail size which a logged in user can change in their preferences. Otherwise I will suggest we change it to 220 px which is the normal thumbnail size. Christian75 ( talk) 12:04, 4 April 2014 (UTC)
|sizedefault=100px
twice (sbs=side-by-side images).|sizedefault=200px
. These were the long time default sizes (not changed recently).Do we have an official contact for the Jmol applet server at chemapps.stolaf.edu used by the "Image 1", etc. extlinks that are generated by {{ Chembox SMILES}}? It is currently serving a java applet, but Jmol now also has a javascript applet. Switching to javascript would improve portability of the chembox (allow 3D model display) onto platforms that don't support (or have disabled for various reasons) java. DMacks ( talk) 13:58, 2 June 2014 (UTC)
Template:Chembox preforms a check on whether an eponymous file exists. That is, for example, whether for article Ammonia a file Ammonia.gif, .png, .svg or .jpg exists (ammonia.gif does). If so, that article is added to Category:Chemical pages with an eponymous image available. Currently, the ere are 5674 eponymous files found, for 9840 chembox transclusion (~57%).
Following a discussion at c:Commons:Deletion requests/File:Diadinoxanthin.png, we can optimise this file check. It better only be done when no file image is used at all (so there is an automated hint to use the eponymous file, through the category). The template will work like this:
When no image is entered at all in an article chembox, template:chembox will look for eponymous images with extensions gif, svg, png and jpg. If there exists one, the page will be added to Category:Chemical pages with an eponymous image available.
Technically, the test is performed in template:Chembox Footer. And: the category will contain only a few pages, not 5000+. Also the original problem in the commons link will be reduced: the image appears "in use" while only being checked for existance - that will be gone too -- except for those listed. - DePiep ( talk) 21:59, 20 June 2014 (UTC)
When using the "automatic" formula method ({{
Chembox Properties|C=2|H=5}}
, the results appear to display according to
Hill order (C...H...everything-else-alphabetically). It's actually generated by an inner template: {{
Chembox Elements|C=2|H=5|Cl=1}}
gives:
When there are no carbons, Hill says H goes in its place strictly alphabetically. But {{
Chembox Elements|B=1|H=3}}
gives:
still "C/H first". DMacks ( talk) 02:17, 4 July 2014 (UTC)
|Formule=
it is by the editor that the sequence is set. OTOH, shouldn't this issue also include "C when no H is present" (as an inorganic formule)?Molecules have triple points, and they also have critical points. Those points represent when there is enough pressure for all 3 states of matter to exist, and when there is enough pressure that the gas and liquid states blend together, respectively. So can somebody add those parameters? DSCrowned ( talk) 04:02, 5 July 2014 (UTC)
I've just copied all relevant templates to cy, I should think a good 80 of them. It looks good and thanks to all for really hard work. Just a suggestion: can you please keep in mind the other languages when creating the next draft! There must be a way of creating a file of all relevant templates that could be 'dumped' into another language wiki. If only life was that simple - I suppose I want it on a plate! Thanks again. Llywelyn2000 ( talk) 19:47, 6 July 2014 (UTC)
|IUPACName=
", and why would that be a problem? In general, I do not understand what changes you would like to the English {{
Chembox}} (next draft). If it helps inter wiki translation, we sure can do that. -
DePiep (
talk) 20:33, 6 July 2014 (UTC)
cy
is Welsh.
cy:wikipedia has Latin script. -
DePiep (
talk) 20:40, 6 July 2014 (UTC)We have some 125 element infoboxes (see Category:Periodic table infobox templates). I have prepared changes to change the box into a wiki-standard {{ Infobox}}. See Change_Infobox_element_to_use_{Infobox} for an overview and comments. Some questions are open.
You can check your favorite element for changes (e.g., fluorine). An all-parameter demo is here. - DePiep ( talk) 13:27, 18 July 2014 (UTC)
Template:Infobox <element>/testcases
): Would it be possible to create a new Hidden Category of "Pages with a Chembox which have not been assigned to a wikiproject"? It would be useful as a curating tool. -- Project Osprey ( talk) 14:48, 14 January 2015 (UTC)
|hasWikiProject=no
? Consider this alternative: we list lists all articles with a chembox and without any WP-assesment template on their talkpage. Like that? Not a category then. (Maybe done by a bot or AWB manipulation or
WP:CATSCAN). While you're at it, aim at same thing for {{
drugbox}} articles? -
DePiep (
talk) 15:05, 14 January 2015 (UTC)
#ifcategory
aren't installed on Wikipedia. Oops.
DMacks (
talk) 17:41, 14 January 2015 (UTC)Rephrase the question.
table
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This is the output from CatScan, apologies for the delay it took a bit of time to format. I'll probably start sorting through it tomorrow but I would like to take a moment to express my delight at the existence of Beefy meaty peptide, what a brilliant name! -- Project Osprey ( talk) 23:48, 14 January 2015 (UTC)
Three-way list: A only, B only, A and B. Lists 14435 articles. - DePiep ( talk) 01:07, 15 January 2015 (UTC)
I think that odor threshold value is a very important piece of information (see Odor detection threshold). Various sources are available:
What do you think? Mintz l ( talk) 00:50, 3 January 2015 (UTC)
In article code, whitespace can be very helpful & distracting. Irregularities are distracting & confusing.
For {{ Chembox}} I propose to use whitespace one way :
{{Chembox | Name = Amonia | ImageFile = | Section1 = {{Chembox Identifiers | ChemSpiderID = 217 | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | StdInChI = 1S/H3N/h1H3 | StdInChI_Ref = {{stdinchicite|correct|chemspider}} }} }}
}}
on newline and with double space (to align with the opening Sectionparameter).This does not have any effect on presented result.
This is to prevent iregualrities like :
{{Chembox| Name =Amonia |ImageFile1= | Section1= {{Chembox Identifiers | ChemSpiderID = 217 | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | StdInChI = 1S/H3N/h1H3 | StdInChI_Ref = {{stdinchicite|correct|chemspider}} }} }}
Any comments? - DePiep ( talk) 11:50, 22 December 2014 (UTC)
The space after the pipe is unnecessary, and it is more usual to see equals signs aligned:
{{Chembox |Name = Amonia |ImageFile = |Section1 = {{Chembox Identifiers |ChemSpiderID = 217 |ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |StdInChI = 1S/H3N/h1H3 |StdInChI_Ref = {{stdinchicite|correct|chemspider}} }} }}
which aids readability. However, editors may use any form; it's not clear what you're proposing, It would be impractical to impose one style on all editors, and it would not be acceptable to make mass edits solely to change the use of whitespace. Andy Mabbett (Pigsonthewing); Talk to Andy; Andy's edits 10:30, 23 December 2014 (UTC)
I think this is going to be very dependent on the editor. Personally I like a variation of option II above:
{{Chembox| Name =Amonia | ImageFile1= | Section1= {{Chembox Identifiers | ChemSpiderID = 217 | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | StdInChI = 1S/H3N/h1H3 | StdInChI_Ref = {{stdinchicite|correct|chemspider}} }} }}
Main template parameters with one space, the in-section parameters with 2 spaces (but this may be my programming-instinct at work). In the end it does not really matter, except for being able to see what is in where. I think this is why I made CheMoBot putting two spaces before the _Ref parameters and 1 space before the 'verified'-parameters in the body of the template. I don't have any preference in any form. -- Dirk Beetstra T C 11:21, 23 December 2014 (UTC)