pH: A dimensionless concentration notation which denotes the acidity of
a solution in terms of activity of hydrogen ions (H+).
It is a subclass of dimensionless unit and concentration unit in UO. I
imported it into OBI as a subclass of concentration unit. Is it fine?
Any comment on it?
Thanks,
Jie
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It could be better to place it as a subclass of concentration.
we say this solution has a pH of 4 but we don't say this solution is 4
pH (as we may do in "this solution of HCl is 1M")
I find the definition of dimensionless unit weird, almost antinomic: A
derived unit which is a standard measure of physical quantity consisting
of only a numerical number without any units.
dimensionless measurement would be ok as a class for that definitions.
HTH
Philippe
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Thanks for your comments.
Jie
-----Original Message-----
From: Philippe Rocca-Serra [mailto:ro...@ebi.ac.uk]
Sent: Monday, March 29, 2010 5:03 PM
To: Jie Zheng
Cc: OBI Developers
Subject: Re: [Obi-devel] need suggestion on the parent class of pH
Hi Jie,
It could be better to place it as a subclass of concentration.
we say this solution has a pH of 4 but we don't say this solution is 4 pH (as we may do in "this solution of HCl is 1M")
I find the definition of dimensionless unit weird, almost antinomic: A derived unit which is a standard measure of physical quantity consisting of only a numerical number without any units.
dimensionless measurement would be ok as a class for that definitions.
HTH
Philippe
Jie Zheng wrote:
> Hi All,
>
> pH: A dimensionless concentration notation which denotes the acidity
> of a solution in terms of activity of hydrogen ions (H+).
>
> It is a subclass of dimensionless unit and concentration unit in UO. I
> imported it into OBI as a subclass of concentration unit. Is it fine?
> Any comment on it?
>
> Thanks,
>
> Jie
>
> ----------------------------------------------------------------------
> -------- Download Intel® Parallel Studio Eval Try the new
Thanks, Jennifer.
pH is not the negative log of [H+], but a scale defined against a set of
standard solutions (as there is no transform from [H+] to activity of
H+). It's similar to things like the Beaufort, Richter or Scoville
scales.
It all depends on how much you want to make the distinction. I would say
that this form of scale is like a unit, but distinct from it. It needs a
new concept.
Phil
--
Phillip Lord, Phone: +44 (0) 191 222 7827
Lecturer in Bioinformatics, Email: philli...@newcastle.ac.uk
School of Computing Science, http://homepages.cs.ncl.ac.uk/phillip.lord
Room 914 Claremont Tower, skype: russet_apples
Newcastle University, msn: m...@russet.org.uk
NE1 7RU
Do you have a proposal? That would be very helpful.
Cheers,
Ryan
On 2010-03-30, at 2:39 AM, "Phillip Lord"
<philli...@newcastle.ac.uk> wrote:
> I would say
> that this form of scale is like a unit, but distinct from it. It
> needs a
> new concept.
>
> Phil
------------------------------------------------------------------------------
I don't think that it's a unit because of it's lack of any form of
additivity. Nor is it a category, because it is ordered.
So, following with IAO current practice of describing the label, rather
than the actual thing of interest, I think we need a new type of label
-- that is measurement scale label. This has the property that
categorical labels lack -- they are ordered. pH falls into this
category, as do my other two examples -- wind and spicyness. There are
many more categories like this.
I think that this has the advantage of being most correct, although it's
more complex. So, I would also be happy enough with introducing new
concepts directly underneath measurement unit label and ignoring the
distinction.
Phil
Ryan Brinkman <rbri...@bccrc.ca> writes:
> Phil,
>
> Do you have a proposal? That would be very helpful.
>
> Cheers,
> Ryan
>
>
> On 2010-03-30, at 2:39 AM, "Phillip Lord"
> <philli...@newcastle.ac.uk> wrote:
>
>> I would say
>> that this form of scale is like a unit, but distinct from it. It
>> needs a
>> new concept.
>>
>> Phil
>
>
--
Phillip Lord, Phone: +44 (0) 191 222 7827
Lecturer in Bioinformatics, Email: philli...@newcastle.ac.uk
School of Computing Science, http://homepages.cs.ncl.ac.uk/phillip.lord
Room 914 Claremont Tower, skype: russet_apples
Newcastle University, msn: m...@russet.org.uk
NE1 7RU
------------------------------------------------------------------------------
Also from wikipedia
"pH is not precisely p[H], but takes into account an activity factor."
and
"hydrogen ion activity coefficients cannot be measured directly by any
thermodynamically sound method"
and
"the pH scale is defined in practice as traceable to a set of standard
solutions whose pH is established by international agreement"
> i think we are making too fine a distinction to introduce a different
> concept.
Yes, we may be. It depends whether chemists read OBI. Defining pH as a
concentration will really get their goat.
> Furthermore, BS would not approve of introducing any concepts into
> OBI.
Barry likes to make an obscure distinction between "entities as they
exist in reality" and "concepts". I think it's too fine a distinction to
introduce a different word. So I use "concept" because it's shorter.
This is true regardless of Barry's approval.
Phil
------------------------------------------------------------------------------
2. The Experimental Definition IUPAC has endorsed a pH scale based on
comparison with a standard buffer of known pH using electrochemical
measurements. The IUPAC pH scale is very slightly different from the
theoretical definition, since it considers factors that are not
included in the (thermodynamic) theoretical pH.
I am more familiar with definition 1., and would have considered pH as
a concentration unit.
On 30-Mar-10, at 9:41 AM, Phillip Lord wrote:
>
> Well, we all seem to agree that it's dimensionless, although I can't
> find "dimensionless unit" in the current version of the ontology.
>
> I don't think that it's a unit because of it's lack of any form of
> additivity.
Could you expand on that? I consider units as ways of measuring
qualities of things using a standardized scale - whether it be linear
or logarithmic.
> Nor is it a category, because it is ordered.
>
> So, following with IAO current practice of describing the label,
> rather
> than the actual thing of interest, I think we need a new type of label
> -- that is measurement scale label. This has the property that
> categorical labels lack -- they are ordered. pH falls into this
> category, as do my other two examples -- wind and spicyness.
http://www.seismo.unr.edu/ftp/pub/louie/class/100/magnitude.html -
they seem to consider Richter magnitude as units "...This accounts for
the usual spread of around 0.2 magnitude units that you see reported
from different seismological lab..." or "...The uncertainty in an
estimate of the magnitude is about plus or minus 0.3 units..."
Similary for the Scoville: http://en.wikipedia.org/wiki/Scoville_scale
" The number of Scoville heat units (SHU) indicates the amount of
capsaicin present."
> There are
> many more categories like this.
We did have similar discussion during the workshop regarding
handedness scale, and have been discussing on the IAO side about how
to represent scales. We added "categorical measurement datum" to start
with.
See related discussion at http://code.google.com/p/information-artifact-ontology/issues/detail?id=78
, http://code.google.com/p/information-artifact-ontology/issues/detail?id=79
and the proposal to have a call to add those at http://groups.google.com/group/information-ontology/browse_thread/thread/b90e9898b8a99240
Melanie
---
Mélanie Courtot
TFL- BCCRC
675 West 10th Avenue
Vancouver, BC
V5Z 1L3, Canada
This is apparently a comment that is relevant to use of all
concentrations. From http://en.wikipedia.org/wiki/Activity_(chemistry)
:
In chemical thermodynamics activity (symbol: a) is a measure of the
“effective concentration” of a species in a mixture. By convention, it
is treated as a dimensionless quantity, although its actual value
depends on customary choices of standard state for the species. The
activity of pure substances in condensed phases (solid or liquids) is
normally taken as unity. Activity depends on temperature, pressure and
composition of the mixture, among other things. For gases, the
effective partial pressure is usually referred to as fugacity.
The difference between activity and other measures of composition
arises because molecules in non-ideal gases or solutions interact with
each other, either to attract or to repel each other. The activity of
an ion is particularly influenced by its surroundings.
Activities should be used to define equilibrium constants but, in
practice, concentrations are often used instead. The same is often
true of equations for reaction rates. However, there are circumstances
where the activity and the concentration are significantly different
and, as such, it is not valid to approximate with concentrations where
activities are required.
> and
>
> "hydrogen ion activity coefficients cannot be measured directly by any
> thermodynamically sound method"
Single hydrogen ion activity.
> and
>
> "the pH scale is defined in practice as traceable to a set of standard
> solutions whose pH is established by international agreement"
This language does not speak to the nature of the quantity. In general
there will be many cases where a unit will be associated with an assay
that is the socially agreed upon way of measuring quantities. That
doesn't mean the unit means the assay.
The passage from the IUPAC document on Ph says
(http://www.iupac.org/reports/provisional/abstract01/rondinini_prs.pdf)
3.1 Relation to SI System.
Since pH is not measured in terms of a fundamental (or base) unit of
any measurement system, it has become common practice to regard pH
measurements as being traceable to their definition. A more
satisfactory alternative is now available, since it has been accepted
that measurements of chemical properties can be incorporated within
the internationally-accepted SI system of measurement if they can be
traced to measurements made using a method that fulfils the definition
of a “primary method of measurement” (1).
http://www.bipm.org/utils/en/pdf/blevin1998-EN.pdf
For measurements of quantity of matter, i.e. for metrology in
chemistry, measurements
consistent with the definition of the SI unit (the mole) cannot in
practice be achieved through the comparison of physical artefacts because the
number of substances that would have to be compared individually is very
l a rge. Instead, the Consultative Committee for Amount of Substance
(CCQM), set up by the CIPM in 1993, is identifying a range of primary
methods of measurement. A primary method of measurement is a method
having the highest metrological qualities, whose operation can be completely
described and understood, for which a complete uncertainty statement can be
written down in terms of SI units, and whose results are therefore accepted
without reference to a standard of the quantity being measured
Note that there is no question here that what is being measured is an
amount of matter.
I also note that the language "ph Unit" is in common usage, and so
should be mentioned somewhere in OBI, It would be called a unit of a
quantity of dimension 1 in SI nomenclature. Other such "units" are
radians and steradians.
http://www.bipm.org/utils/common/pdf/si_brochure_8_en.pdf
"(b) The radian and steradian are special names for the number one
that may be used to convey
information about the quantity concerned. In practice the symbols rad
and sr are used where
appropriate, but the symbol for the derived unit one is generally
omitted in specifying the
values of dimensionless quantities."
Ok, well there's some more background. I don't think we're done yet,
but I need to go to a call.
-Alan
If we have a unit, say, Q, if you know how to measure 1Q, then you
should be able to work out how to measure 2Q.
So, if I give you a 1m rule, then m is a unit because you can also
measure 2m. I'm not suggesting that the relationship always needs to be
linear. For example, given a 1m rule, you can also measure a area or a
volume. But you can't measure a 2m^2 volume, only a 4m^2 area, or an
8m^3 volume.
This is true for a concentration, but because of the activity component
for pH is, strictly, not true for pH.
>> Nor is it a category, because it is ordered.
>>
>> So, following with IAO current practice of describing the label, rather
>> than the actual thing of interest, I think we need a new type of label
>> -- that is measurement scale label. This has the property that
>> categorical labels lack -- they are ordered. pH falls into this
>> category, as do my other two examples -- wind and spicyness.
>
> http://www.seismo.unr.edu/ftp/pub/louie/class/100/magnitude.html -
> they seem to consider Richter magnitude as units "...This accounts for the
> usual spread of around 0.2 magnitude units that you see reported from
> different seismological lab..." or "...The uncertainty in an estimate of the
> magnitude is about plus or minus 0.3 units..."
The Richter scale is based on a measurement from a particular piece of
apparatus, and saturates. I know relatively little about the Richter
scale, though, so I might be wrong here.
The Beaufort scale I know more about, and is based around whether flags
stand up, or whether you get white horses. Compare this form of
empirical scale to "wind speed of 10ms^-1" -- the latter clearly is a
unit. We can say that "20ms^1 is twice as fast as 10ms^1; however all we
can say about Beaufort 8 is that it's windier than Beaufort 5.
>
> Similary for the Scoville: http://en.wikipedia.org/wiki/Scoville_scale " The
> number of Scoville heat units (SHU) indicates the amount of capsaicin
> present."
>
If you read down, you will see that Scoville is actually a scale based
on the ability of tasters to perceive heat under standardized
conditions. Again, it's an empirical scale. It happens to be
more or less proportional to capsaicin content.
Scoville has the advantage that it can also be meaningfully applied to
substances other than capsaicin, including those which are hotter, while
it is not really meaningful, for example, to describe capsaicin
concentrations greater than pure.
>> There are many more categories like this.
>
> We did have similar discussion during the workshop regarding handedness scale,
> and have been discussing on the IAO side about how to represent scales. We
> added "categorical measurement datum" to start with.
>
> See related discussion at
> http://code.google.com/p/information-artifact-ontology/issues/detail?id=78
> , http://code.google.com/p/information-artifact-ontology/issues/detail?id=79
> and the proposal to have a call to add those at http://groups.google.com/group/information-ontology/browse_thread/thread/b90e9898b8a99240
>
I agree; it's nearly the same issue. Categories, such as handedness are
totally unordered, though. Scales are ordered but with an uncertain
relationship between the items; just greater than or less than.
Given the existence of categorical measurement data, it seems that there
is already a good design pattern in OBI for dealing with this form of
data. So the two options, as I see them are, either make the distinction
using this pattern (which is more correct, but more complex) or ignore
the distinction (which is less correct, but simpler). Gains and losses
either way.
My suspicion is that our target audience would want to have their cake
and eat it. They would say that pH is a unit and we are being picky
about the distinction, but would be unhappy about clinical scales (for
example) being considered units.
Phil
This covers much the same ground, but is longer.
>> and
>>
>> "hydrogen ion activity coefficients cannot be measured directly by any
>> thermodynamically sound method"
>
> Single hydrogen ion activity.
You can't meaningfully define the concentration of an single ion, I
fear.
>> and
>>
>> "the pH scale is defined in practice as traceable to a set of standard
>> solutions whose pH is established by international agreement"
>
> This language does not speak to the nature of the quantity.
This language does not speak to my understandability. What does this
mean?
> In general there will be many cases where a unit will be associated
> with an assay that is the socially agreed upon way of measuring
> quantities. That doesn't mean the unit means the assay.
It doesn't mean that it doesn't either. And in this case, it does. There
are a set (not one) of standard assays which define a scale.
> I also note that the language "ph Unit" is in common usage, and so
> should be mentioned somewhere in OBI,
Synonyms.
> It would be called a unit of a quantity of dimension 1 in SI
> nomenclature. Other such "units" are radians and steradians.
No. Radians are additive, with a clearly defined relationship between
what "1 radian" and "2 radians" mean.
Phil
we have to send the BMC copyright agreement form (the article is
original, etc. - a standard one). I can do that if you authorize me.
Please send your objections if you do not as soon as possible.
Below are the comments for a camera ready version:
- Please change the references to BioMed Central style - cited in the
main text by numbers in square brackets, with a numbered list at the
end of the manuscript. The references should be numbered in the order
in which they are cited in the main text
- Table 1 is larger than 1 page and so might be better as an
additional file (see our attached notes on additional files)
I will change the reference style, but I think to ignore the second
comment. It would be inconvenient for the readers to look at a
separate file every time they wish to check information about the
terms used in the paper.
Objections?
Thanks,
Larisa
--
European Bioinformatics Institute,
Wellcome Trust Genome Campus,
Hinxton,
Cambridge, CB10 1SD,
United Kingdom
Tel: + 44 (0) 1223 494 676
Fax: + 44 (0) 1223 492 468
-----Original Message-----
From: Phillip Lord [mailto:philli...@newcastle.ac.uk]
Sent: Wednesday, March 31, 2010 10:00 AM
To: Alan Ruttenberg
Cc: OBI Developers
Subject: Re: [Obi-devel] need suggestion on the parent class of pH
>
> Melanie Courtot <mcou...@gmail.com> writes:
>>> I don't think that it's a unit because of it's lack of any form of
>>> additivity.
>>
>> Could you expand on that? I consider units as ways of measuring
>> qualities of
>> things using a standardized scale - whether it be linear or
>> logarithmic.
>
> If we have a unit, say, Q, if you know how to measure 1Q, then you
> should be able to work out how to measure 2Q.
>
> So, if I give you a 1m rule, then m is a unit because you can also
> measure 2m. I'm not suggesting that the relationship always needs to
> be
> linear. For example, given a 1m rule, you can also measure a area or a
> volume. But you can't measure a 2m^2 volume, only a 4m^2 area, or an
> 8m^3 volume.
>
> This is true for a concentration, but because of the activity
> component
> for pH is, strictly, not true for pH.
The SI defines meter as a base unit, while m2 or m3 are SI derived
units: http://physics.nist.gov/cuu/Units/units.html
I understand what you mean, I guess my question is where is it coming
from :)
Units as I see them are an agreed upon convention (and for that reason
I start liking the unit label proposal, which reflects that it is a
social type of artifact). Groups of people agree on using a meter rule
to refer to the same length, or rely on people taste's to assess
spiciness.
I am not sure that it does matter if the scale is empirical or
determined by an measuring device: for example if we were to invent a
machine measuring spiciness, I suspect we would align the output
measurement with the existing Scoville scale.
I would agree with that.
I added a link to this thread to the agenda of the April 13th call: http://code.google.com/p/information-artifact-ontology/wiki/Meeting_notes_20100413
. Alan will be hosting the call, just add your name to the list of
attendees on the wiki or ping him if you want to join the discussion.
On a side note, the BIPM had a workshop last year about physiological
units and their relation to SI units: http://www.bipm.org/en/events/physiological_quantities/
. I couldn't find a summary of the outcome of this meeting, only link
is restricted access. They also seem to have quite a few articles
regarding pH, for example http://iopscience.iop.org/
0026-1394/46/3/007/ (linked from http://tinyurl.com/yku6fcj)
Cheers,
Melanie
Thanks for taking care of this.
Melanie
---
Mélanie Courtot
TFL- BCCRC
675 West 10th Avenue
Vancouver, BC
V5Z 1L3, Canada
------------------------------------------------------------------------------
Sure, but a concentration unit of what? Clearly not H+ (i.e. a free
proton). It's an effective activity, which makes it different from, say,
the concentration of SO4+ in a sulphuric acid solution. If this were not
the case, why have a pH at all? We could just use log of the molarity.
We could calculate this directly, from the amount of stuff we have added
to the water.
As you say, we may be splitting hairs here that don't need to be split;
I'm inclined to think that this is the case here; the abstraction of pH
to being a unit of concentration is probably close enough. As I said
earlier, I think it's probably what the majority of users will expect,
which provides a good enough justification for the simpler solution to
me.
Phil
"Fostel, Jennifer (NIH/NIEHS) [E]" <fos...@niehs.nih.gov> writes:
> activity ~ concentration
> you can measure H+ dissociation, i.e. free H+ concentration in water,
> i.e. acidity, i.e. pH i just checked with our head of chemistry who
> says "of course pH is a concentration unit".
>
------------------------------------------------------------------------------
As I've said elsewhere, I think that in the case of pH, we are probably
making distinctions that do not need to be made. I think, though, in
general, there is a difference between a scale and a unit. My
distinction would be that, give "1" you can work out what "2" means.
Of course, this does get muddy. The Beaufort scale is a example, because
the original, empirically defined measure has been mapped to wind speed.
So, in a sense, now Beaufort is a scale fitted over a unit.
>> If you read down, you will see that Scoville is actually a scale based
>> on the ability of tasters to perceive heat under standardized
>> conditions. Again, it's an empirical scale. It happens to be
>> more or less proportional to capsaicin content.
>>
>> Scoville has the advantage that it can also be meaningfully applied to
>> substances other than capsaicin, including those which are hotter, while
>> it is not really meaningful, for example, to describe capsaicin
>> concentrations greater than pure.
>>
>
> Units as I see them are an agreed upon convention (and for that reason I start
> liking the unit label proposal, which reflects that it is a social type of
> artifact). Groups of people agree on using a meter rule to refer to the same
> length, or rely on people taste's to assess spiciness.
I think that this is fairly dodgy ground. Most of the things that we are
modelling are "conventional"; height, colour, legs/feet/toes. This
doesn't really help with the modelling though. Nor does it relate to the
distinction that I am trying to make; if you know what 1m is then you
can define any length.
The unit label proposal is wrong for a different reason; it's modelling
the unimportant thing not the important thing. It's rather like saying
"this is a tin with a label for baked beans on it", rather than "this is
a tin of baked beans". However, IAO has decided that this inconvenient
model is the way forward; at this stage, it probably makes more sense to
be consistently broken, rather than right half the time.
> I am not sure that it does matter if the scale is empirical or
> determined by an measuring device: for example if we were to invent a
> machine measuring spiciness, I suspect we would align the output
> measurement with the existing Scoville scale.
We can and we have! Same thing as Beaufort.
>> My suspicion is that our target audience would want to have their cake
>> and eat it. They would say that pH is a unit and we are being picky
>> about the distinction, but would be unhappy about clinical scales (for
>> example) being considered units.
>
> I would agree with that.
>
> I added a link to this thread to the agenda of the April 13th call:
> http://code.google.com/p/information-artifact-ontology/wiki/Meeting_notes_20100413
> . Alan will be hosting the call, just add your name to the list of attendees
> on the wiki or ping him if you want to join the discussion.
I don't think I will be there I am afraid. As far as I can see, the
issue has been discussed; I think that there is a distinction that could
be made here, but I don't see a driving use case for making it. Given
that, the simpler solution (pun!) is probably the best.