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[CF-metadata] Standard_name table entries for air quality data

From: Schultz, Martin <m.schultz>
Date: Mon, 3 Oct 2011 20:29:45 +0200

Dear all,

      I am currently reviewing a set of variables from two major data hubs with air quality data, and the objective is to enable those systems to serve netcdf-CF data. Looking through their variables and descriptions, I came across a couple of things and I would like to initiate the discussion about these now. I group the following into three categories: 1) errors/inconsistencies in the current CF standard_name table, 2) request for additional standard_names following the accepted grammar rules, 3) other issues and questions potentially requiring new grammar rules or further discussion. As always your feedback is greatly appreciated.

Best regards,

Martin

1. standard_name table errors/inconsistencies:

* "mole_fraction_of_nox_expressed_as_nitrogen_in_air"
   The distinction "expressed_as_nitrogen" doesn't make sense for the "mole_fraction" quantity. The mole fraction basically counts the number of molecules and normalized this quantitiy with respect to the number of air molecules. Hence, you can simply add the mole fraction of NO and the mole fraction of NO2 to arrive at the mole fraction of NOx. This is different for the mass_fraction, where you need to express this relative to a given molar mass. Thus, "mass_fraction_of_nox_expressed_as_nitrogen_in_air" makes perfect sense, but "mole_fraction_of_nox_expressed_as_nitrogen_in_air" should be changed into "mole_fraction_of_nox_in_air" and the present standard_name should be deprecated. [I recall that there was some discussion about this earlier, but I don't know how this ever made it into the table]

* The same issue applies to "mole_fraction_of_nox_expressed_as_nitrogen_in_air", " mole_fraction_of_clox_expressed_as_chlorine_in_air",
 " mole_fraction_of_nmvoc_expressed_as_carbon_in_air" and potentially other "group" names.

* " mass_fraction_of_alkanes_in_air" (and other "group" names)
   Here we face the opposite problem: mass fraction requires an agreement on the "reference mass", so here it should be added "..._expressed_as_carbon_..."


* Definition of the phrase: "expressed_as"
Current wording:
The phrase 'expressed_as' is used in the construction A_expressed_as_B, whereB is a chemical constituent of A. It means that the quantity indicated by the standard name is calculated solely with respect to the B contained in A, neglecting all other chemical constituents of A.
Suggested improvement:
Change last half-sentence to " neglecting all other elemental constituents of A."
Actually, this may be more complicated, because in the air quality world it is also common to express things relative to one molecule. Example: "nox_expressed_as_nitrogen_dioxide". In this case the phrase " calculated solely with respect to the B contained in A" does not really make sense, as "NO2" is not "contained in NO" (which is part of NOx, however).



2. request for new standard names following the accepted grammar rules

* " mass_concentration_of_pm2p5_ambient_aerosol_in_air", units "kg m-3"
Definition: Mass concentration means mass per unit volume and is used in the construction mass_concentration_of_X_in_Y, where X is a material constituent of Y. A chemical species denoted by X may be described by a single term such as 'nitrogen' or a phrase such as 'nox_expressed_as_nitrogen'. "Aerosol" means the suspended liquid or solid particles in air (except cloud droplets). "Ambient aerosol" is aerosol that has taken up ambient water through hygroscopic growth. The extent of hygroscopic growth depends on the relative humidity and the composition of the aerosol. "Pm2p5 aerosol" is an air pollutant with an aerodynamic diameter of less than or equal to 2.5 micrometers. To specify the relative humidity and temperature at which the particle size applies, provide scalar coordinate variables with the standard names of, respectively, "relative_humidity" and "air_temperature".

* " mass_concentration_of_pm1_ambient_aerosol_in_air", units "kg m-3"
Definition: Mass concentration means mass per unit volume and is used in the construction mass_concentration_of_X_in_Y, where X is a material constituent of Y. A chemical species denoted by X may be described by a single term such as 'nitrogen' or a phrase such as 'nox_expressed_as_nitrogen'. "Aerosol" means the suspended liquid or solid particles in air (except cloud droplets). "Ambient aerosol" is aerosol that has taken up ambient water through hygroscopic growth. The extent of hygroscopic growth depends on the relative humidity and the composition of the aerosol. "Pm1 aerosol" is an air pollutant with an aerodynamic diameter of less than or equal to 1 micrometer. To specify the relative humidity and temperature at which the particle size applies, provide scalar coordinate variables with the standard names of, respectively, "relative_humidity" and "air_temperature".
[Note that pm1 actually coincides with the current definition of "coarse_mode" - it may be helpful to allow both terms as aliases]

* " mass_concentration_of_pm10_ambient_aerosol_in_air", units "kg m-3"
Definition: Mass concentration means mass per unit volume and is used in the construction mass_concentration_of_X_in_Y, where X is a material constituent of Y. A chemical species denoted by X may be described by a single term such as 'nitrogen' or a phrase such as 'nox_expressed_as_nitrogen'. "Aerosol" means the suspended liquid or solid particles in air (except cloud droplets). "Ambient aerosol" is aerosol that has taken up ambient water through hygroscopic growth. The extent of hygroscopic growth depends on the relative humidity and the composition of the aerosol. "Pm10 aerosol" is an air pollutant with an aerodynamic diameter of less than or equal to 10 micrometers. To specify the relative humidity and temperature at which the particle size applies, provide scalar coordinate variables with the standard names of, respectively, "relative_humidity" and "air_temperature".

* "mole_fraction_of_hydrogen_sulfite_in_air", units "1" (meaning "mole mole-1")
Definition: Mole fraction is used in the construction mole_fraction_of_X_in_Y, where X is a material constituent of Y. Hydrogen sulfide is the molecule with the chemical formula H2S.

* "mole_fraction_of_alkanes_in_air", units "1" (meaning "mole mole-1")
Definition: Mole fraction is used in the construction mole_fraction_of_X_in_Y, where X is a material constituent of Y. Alkanes are saturated hydrocarbons, i.e. they do not contain any chemical double bonds. Alkanes contain only hydrogen and carbon combined in the general proportions C(n)H(2n+2); "alkanes" is the term used in standard names to describe the group of chemical species having this common structure that are represented within a given model. The list of individual species that are included in a quantity having a group chemical standard name can vary between models. Where possible, the data variable should be accompanied by a complete description of the species represented, for example, by using a comment attribute. Standard names exist for some individual alkane species, e.g., methane and ethane.

* " mass_concentration_of_coarse_mode_ambient_aerosol_in_air", units "kg m-3"
Definition: Mass concentration means mass per unit volume and is used in the construction mass_concentration_of_X_in_Y, where X is a material constituent of Y. A chemical species denoted by X may be described by a single term such as 'nitrogen' or a phrase such as 'nox_expressed_as_nitrogen'. "Aerosol" means the suspended liquid or solid particles in air (except cloud droplets). "Ambient aerosol" is aerosol that has taken up ambient water through hygroscopic growth. The extent of hygroscopic growth depends on the relative humidity and the composition of the aerosol. Coarse mode aerosol is aerosol having a diameter of more than 1 micrometer.

* "mole_fraction_of_aldehydes_in_air", units "1" (meaning "mole mole-1")
Definition: Mole fraction is used in the construction mole_fraction_of_X_in_Y, where X is a material constituent of Y. Aldehydes are organic compounds with a CHO group; "aldehydes" is the term used in standard names to describe the group of chemical species having this common structure that are represented within a given model. The list of individual species that are included in a quantity having a group chemical standard name can vary between models. Where possible, the data variable should be accompanied by a complete description of the species represented, for example, by using a comment attribute. Standard names exist for formaldehyde as the simplest member of the aldehydes group.

* " mole_fraction_of_dichlorine_in_air", units "1" (meaning "mole mole-1")
Definition: Mole fraction is used in the construction mole_fraction_of_X_in_Y, where X is a material constituent of Y. Dichlorine is the molecular form of elemental chlorine with the chemical formula Cl2.

* "mole_fraction_of_methlyglyoxal_in_air", units "1" (meaning "mole mole-1")
Definition: Mole fraction is used in the construction mole_fraction_of_X_in_Y, where X is a material constituent of Y. Methylglyoxal is an organic molecule with the chemical formula CH3COCHO. It is also called pyruvaldehyde or 2-oxopropanal.


3. Other issues and questions:

* (actually more a question): How do I express the "daily 8 hour maximum" value that is derived from hourly measurements of (surface) ozone mole fractions? I would tend to apply cell_methods here, but how should this attribute look like? To explain in more detail: first an 8-hour running mean of hourly concentrations is calculated, then the daily maximum value of these running means is picked as the indicator.

* How can we get more specific about the "extinction coefficient"? In particular, we would like to express something like "..._due_to_Mie_scattering". But does this work with " volume_extinction_coefficient_in_air_due_to_ambient_aerosol". The new name would then become "volume_extinction_coefficient_in_air_due_to_Mie_scattering_of_ambient_aerosol" ? (and would "Mie" be spelled with "M" or "m"?)

* In one of the lists I am reviewing, a new lumped group "acetic acid and higher carboxylic acids" appears. Am I right that one should simplify this to "mole_fraction_of_carboxylic_acids_in_air" and express in the definition that this group contains acetic acid and higher carboxylic acids?

* Stumbling over the "group" or "lumping" concept again, I would propose to add a new attribute to the CF standard which is specifically used to describe the group compounds. This should be an optional attribute (which means that the general rule " Where possible, the data variable should be accompanied by a complete description of the species represented..." remains the same), yet by separating it from the generic comment attribute, one would allow for more intelligent metadata processing. Two suggestions for such an attribute name would be
    "group_constituents" or "group_members"
The former is more specific and bears some relation to composition in its name, the latter would be more generic and could potentially be used in other areas as well (for example to denote plant species in a definition of plant functional types, soil types belonging to one group, etc.).


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Forschungszentrum Juelich GmbH
52425 Juelich
Sitz der Gesellschaft: Juelich
Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498
Vorsitzender des Aufsichtsrats: MinDirig Dr. Karl Eugen Huthmacher
Geschaeftsfuehrung: Prof. Dr. Achim Bachem (Vorsitzender),
Karsten Beneke (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt,
Prof. Dr. Sebastian M. Schmidt
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Received on Mon Oct 03 2011 - 12:29:45 BST

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