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add aerosol related updates (#161)
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* add aerosol related updates

* a few bug fixes

* checkpoint

* updates

* Update src/grib2io/_grib2io.py

Co-authored-by: Zachary Moon <[email protected]>

* Update src/grib2io/templates.py

Co-authored-by: Zachary Moon <[email protected]>

* updates

* add dataclass back

* remove unneeded file

* fix issue with optical parameterNumber in shortName

* adding GEFS subset

* updates for tests

* remove unused import

---------

Co-authored-by: Zachary Moon <[email protected]>
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@bbakernoaa @zmoon
bbakernoaa and zmoon authored Jan 14, 2025
1 parent bf44eb7 commit 4b19aee
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Empty file added gefs.chem.t00z.a2d_0p25.f000.grib2_subset
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2 changes: 1 addition & 1 deletion make_grib2_tables/get-ncep-grib2-table.py
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Expand Up @@ -65,7 +65,7 @@
if tblin == '4.5':
units = row['Units']
line = "'%s':['%s','%s']," % (value,center,units)
elif tblin == '4.233':
elif tblin == '4.233' or tblin == '4.230':
chemform = row['Chemical Formula']
line = "'%s':['%s','%s']," % (value,center,chemform)
else:
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1 change: 1 addition & 0 deletions make_grib2_tables/list_section4_tables.txt
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Expand Up @@ -35,6 +35,7 @@
4.224
4.227
4.228
4.230
4.233
4.234
4.235
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106 changes: 105 additions & 1 deletion src/grib2io/_grib2io.py
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Expand Up @@ -110,6 +110,7 @@ def __init__(self, filename: str, mode: Literal["r", "w", "x"] = "r", **kwargs):
File access mode where "r" opens the files for reading only; "w"
opens the file for overwriting and "x" for writing to a new file.
"""

# Manage keywords
if "_xarray_backend" not in kwargs:
kwargs["_xarray_backend"] = False
Expand Down Expand Up @@ -209,6 +210,7 @@ def _build_index(self):
self._index['msgNumber'] = []
self._index['msg'] = []
self._index['isSubmessage'] = []
self._index['isAerosol'] = []
self._hasindex = True

# Iterate
Expand Down Expand Up @@ -325,6 +327,11 @@ def _build_index(self):
self._index['msgNumber'].append(self.messages)
self._index['isSubmessage'].append(_isSubmessage)

# Check if message contains aerosol data based on template number
aero_templates = [46, 48] # These are the currently supported aerosol templates
is_aero = section4[1] in aero_templates
self._index['isAerosol'].append(is_aero)

# Create Grib2Message with data.
msg = Grib2Message(section0,section1,section2,section3,section4,section5,bmapflag)
msg._msgnum = self.messages-1
Expand Down Expand Up @@ -729,12 +736,109 @@ def __post_init__(self):
self.bitMapFlag = templates.Grib2Metadata(self.bitMapFlag,table='6.0')
self.bitmap = None


@property
def _isNDFD(self):
"""Check if GRIB2 message is from NWS NDFD"""
return np.all(self.section1[0:2]==[8,65535])

@property
def _isAerosol(self):
"""Check if GRIB2 message contains aerosol data"""
aero_templates = [46, 48] # 47, 49, 80, 81, 82, 83, 84, 85] <- these don't seem to be working
# TODO: Add other aerosol templates that are failing

# Combine parameters from both tables
aero_params = [
# Basic aerosol parameters
'0', # Aerosol Type
'1', # AOD550
'2', # ASYF
'3', # SSA
'4', # AEC
'5', # AAC
'192', # PMTC
'193', # PMTF
'194', # PM2.5
'195', # COLPM2.5
'196', # PM10

# Additional parameters from table_4_2_0_20
'0', # Mass Density
'1', # Column Mass density
'2', # Mass Mixing Ratio (Mass Fraction in Air)
'3', # Atmosphere Emission Mass Flux
'4', # Atmosphere Net Production Mass Flux
'5', # Atmosphere Gross Production Mass Flux
'6', # Surface Dry Depsotiion Mass Flux
'7', # Surface Wet Deposition Mass Flux
'8', # Atmosphere Resuspension Mass Flux
'9', # Large Scale Wet Dep Mass Flux
'10', # Convective Wet Dep Mass Flux
'11', # Sedimenation Mass Flux
'12', # Dry Dep Mass Flux
'13', # Transfer From Hydrophobic to Hydrophilic
'14', #Transfer From SO2 (Sulphur Dioxide) to SO4 (Sulphate)','kg kg-1s-1','TRSDS'],
'15', # Dry deposition velocity','m s-1','DDVEL'],
'16', # Mass mixing ratio with respect to dry air','kg kg-1','MSSRDRYA'],
'17', # Mass mixing ratio with respect to wet air','kg kg-1','MSSRWETA'],
'18', # Potential of hydrogen (pH)','pH','POTHPH']
'50', # Amount in Atmosphere','mol','AIA'],
'51', # Concentration In Air','mol m-3','CONAIR'],
'52', # Volume Mixing Ratio (Fraction in Air)','mol mol-1','VMXR'],
'53', # Chemical Gross Production Rate of Concentration','mol m-3s-1','CGPRC'],
'54', # Chemical Gross Destruction Rate of Concentration','mol m-3s-1','CGDRC'],
'55', # Surface Flux','mol m-2s-1','SFLUX'],
'56', # Changes Of Amount in Atmosphere','mol s-1','COAIA'],
'57', # Total Yearly Average Burden of The Atmosphere>','mol','TYABA'],
'58', # Total Yearly Average Atmospheric Loss','mol s-1','TYAAL'],
'59', # Aerosol Number Concentration','m-3','ANCON'],
'60', # Aerosol Specific Number Concentration','kg-1','ASNCON'],
'61', # Maximum of Mass Density','kg m-3','MXMASSD'],
'62', # Height of Mass Density','m','HGTMD'],
'63', # Column-Averaged Mass Density in Layer','kg m-3','CAVEMDL'],
'64', # Mole fraction with respect to dry air','mol mol-1','MOLRDRYA'],
'65', # Mole fraction with respect to wet air','mol mol-1','MOLRWETA'],
'66', # Column-integrated in-cloud scavenging rate by precipitation','kg m-2 s-1','CINCLDSP'],
'67', # Column-integrated below-cloud scavenging rate by precipitation','kg m-2 s-1','CBLCLDSP'],
'68', # Column-integrated release rate from evaporating precipitation','kg m-2 s-1','CIRELREP'],
'69', # Column-integrated in-cloud scavenging rate by large-scale precipitation','kg m-2 s-1','CINCSLSP'],
'70', # Column-integrated below-cloud scavenging rate by large-scale precipitation','kg m-2 s-1','CBECSLSP'],
'71', # Column-integrated release rate from evaporating large-scale precipitation','kg m-2 s-1','CRERELSP'],
'72', # Column-integrated in-cloud scavenging rate by convective precipitation','kg m-2 s-1','CINCSRCP'],
'73', # Column-integrated below-cloud scavenging rate by convective precipitation','kg m-2 s-1','CBLCSRCP'],
'74', # Column-integrated release rate from evaporating convective precipitation','kg m-2 s-1','CIRERECP'],
'75', # Wildfire flux','kg m-2 s-1','WFIREFLX'],
'76', # Emission Rate','kg kg-1 s-1','EMISFLX'],
'77', # Surface Emission flux','kg m-2 s-1','SFCEFLX'],
'78', # Column integrated eastward mass flux','kg m-2 s-1','CEMF'],
'79', # Column integrated northward mass flux','kg m-2 s-1','CNMF'],
'80', # Column integrated divergence of mass flux','kg m-2 s-1','CDIVMF'],
'81', # Column integrated net source','kg m-2 s-1','CNETS'],

# Backscatter and optical parameters
'100', # SADEN
'102', # AOTK
'103', # SSALBK
'104', # ASYSFK
'105', # AECOEF
'106', # AACOEF
'107', # ALBSAT
'108', # ALBGRD
'109', # ALESAT
'110', # ALEGRD
'111', # ANGSTEXP
'112', # SCTAOTK
]

is_aero_template = self.productDefinitionTemplateNumber.value in aero_templates
is_aero_param = ((str(self.parameterCategory) == '13') |
(str(self.parameterCategory) == '20')) and str(self.parameterNumber) in aero_params

# Check table 4.205 aerosol presence
is_aero_type = (str(self.parameterCategory) == '205' and
str(self.parameterNumber) == '1')

return is_aero_template or is_aero_param or is_aero_type #or is_aero_param_t_4_2_0_20

@property
def gdtn(self):
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127 changes: 127 additions & 0 deletions src/grib2io/tables/section4.py
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Expand Up @@ -902,6 +902,133 @@
'255':'Missing',
}

table_4_230 = {'0': ['Ozone', 'O3'],
'1': ['Water Vapour', 'H2O'],
'2': ['Methane', 'CH4'],
'3': ['Carbon Dioxide', 'CO2'],
'4': ['Carbon Monoxide', 'CO'],
'5': ['Nitrogen Dioxide', 'NO2'],
'6': ['Nitrous Oxide', 'N2O'],
'7': ['Formaldehyde', 'HCHO'],
'8': ['Sulphur Dioxide', 'SO2'],
'9': ['Ammonia', 'NH3'],
'10': ['Ammonium', 'NH4+'],
'11': ['Nitrogen Monoxide', 'NO'],
'12': ['Atomic Oxygen', 'O'],
'13': ['Nitrate Radical', 'NO3'],
'14': ['Hydroperoxyl Radical', 'HO2'],
'15': ['Dinitrogen Pentoxide', 'H2O5'],
'16': ['Nitrous Acid', 'HONO'],
'17': ['Nitric Acid', 'HNO3'],
'18': ['Peroxynitric Acid', 'HO2NO2'],
'19': ['Hydrogen Peroxide', 'H2O2'],
'20': ['Molecular Hydrogen', 'H'],
'21': ['Atomic Nitrogen', 'N'],
'22': ['Sulphate', 'SO42-'],
'23': ['Radon', 'Rn'],
'24': ['Elemental Mercury', 'Hg(O)'],
'25': ['Divalent Mercury', 'Hg2+'],
'26': ['Atomic Chlorine', 'Cl'],
'27': ['Chlorine Monoxide', 'ClO'],
'28': ['Dichlorine Peroxide', 'Cl2O2'],
'29': ['Hypochlorous Acid', 'HClO'],
'30': ['Chlorine Nitrate', 'ClONO2'],
'31': ['Chlorine Dioxide', 'ClO2'],
'32': ['Atomic Bromide', 'Br'],
'33': ['Bromine Monoxide', 'BrO'],
'34': ['Bromine Chloride', 'BrCl'],
'35': ['Hydrogen Bromide', 'HBr'],
'36': ['Hypobromous Acid', 'HBrO'],
'37': ['Bromine Nitrate', 'BrONO2'],
'38': ['Oxygen', 'O2'],
'39-9999': ['Reserved', 'unknown'],
'10000': ['Hydroxyl Radical', 'OH'],
'10001': ['Methyl Peroxy Radical', 'CH3O2'],
'10002': ['Methyl Hydroperoxide', 'CH3O2H'],
'10003': ['Reserved', 'unknown'],
'10004': ['Methanol', 'CH3OH'],
'10005': ['Formic Acid', 'CH3OOH'],
'10006': ['Hydrogen Cyanide', 'HCN'],
'10007': ['Aceto Nitrile', 'CH3CN'],
'10008': ['Ethane', 'C2H6'],
'10009': ['Ethene (= Ethylene)', 'C2H4'],
'10010': ['Ethyne (= Acetylene)', 'C2H2'],
'10011': ['Ethanol', 'C2H5OH'],
'10012': ['Acetic Acid', 'C2H5OOH'],
'10013': ['Peroxyacetyl Nitrate', 'CH3C(O)OONO2'],
'10014': ['Propane', 'C3H8'],
'10015': ['Propene', 'C3H6'],
'10016': ['Butanes', 'C4H10'],
'10017': ['Isoprene', 'C5H10'],
'10018': ['Alpha Pinene', 'C10H16'],
'10019': ['Beta Pinene', 'C10H16'],
'10020': ['Limonene', 'C10H16'],
'10021': ['Benzene', 'C6H6'],
'10022': ['Toluene', 'C7H8'],
'10023': ['Xylene', 'C8H10'],
'10024-10499': ['Reserved', 'unknown'],
'10500': ['Dimethyl Sulphide', 'CH3SCH3'],
'10501-20000': ['Reserved', 'unknown'],
'20001': ['Hydrogen Chloride', 'HCL'],
'20002': ['CFC-11', 'unknown'],
'20003': ['CFC-12', 'unknown'],
'20004': ['CFC-113', 'unknown'],
'20005': ['CFC-113a', 'unknown'],
'20006': ['CFC-114', 'unknown'],
'20007': ['CFC-115', 'unknown'],
'20008': ['HCFC-22', 'unknown'],
'20009': ['HCFC-141b', 'unknown'],
'20010': ['HCFC-142b', 'unknown'],
'20011': ['Halon-1202', 'unknown'],
'20012': ['Halon-1211', 'unknown'],
'20013': ['Halon-1301', 'unknown'],
'20014': ['Halon-2402', 'unknown'],
'20015': ['Methyl Chloride (HCC-40)', 'unknown'],
'20016': ['Carbon Tetrachloride (HCC-10)', 'unknown'],
'20017': ['HCC-140a', 'CH3CCl3'],
'20018': ['Methyl Bromide (HBC-40B1)', 'unknown'],
'20019': ['Hexachlorocyclohexane (HCH)', 'unknown'],
'20020': ['Alpha Hexachlorocyclohexane', 'unknown'],
'20021': ['Hexachlorobiphenyl (PCB-153)', 'unknown'],
'20022-29999': ['Reserved', 'unknown'],
'30000': ['Radioactive Pollutant (Tracer, defined by originating centre)', 'unknown'],
'30001-50000': ['Reserved', 'unknown'],
'60000': ['HOx Radical (OH+HO2)', 'unknown'],
'60001': ['Total Inorganic and Organic Peroxy Radicals (HO2+RO2)', 'RO2'],
'60002': ['Passive Ozone', 'unknown'],
'60003': ['NOx Expressed As Nitrogen', 'NOx'],
'60004': ['All Nitrogen Oxides (NOy) Expressed As Nitrogen', 'NOy'],
'60005': ['Total Inorganic Chlorine', 'Clx'],
'60006': ['Total Inorganic Bromine', 'Brx'],
'60007': ['Total Inorganic Chlorine Except HCl, ClONO2: ClOx', 'unknown'],
'60008': ['Total Inorganic Bromine Except Hbr, BrONO2:BrOx', 'unknown'],
'60009': ['Lumped Alkanes', 'unknown'],
'60010': ['Lumped Alkenes', 'unknown'],
'60011': ['Lumped Aromatic Coumpounds', 'unknown'],
'60012': ['Lumped Terpenes', 'unknown'],
'60013': ['Non-Methane Volatile Organic Compounds Expressed as Carbon','NMVOC'],
'60014': ['Anthropogenic Non-Methane Volatile Organic Compounds Expressed as Carbon','aNMVOC'],
'60015': ['Biogenic Non-Methane Volatile Organic Compounds Expressed as Carbon','bNMVOC'],
'60016': ['Lumped Oxygenated Hydrocarbons', 'OVOC'],
'60017-61999': ['Reserved', 'unknown'],
'62000': ['Total Aerosol', 'unknown'],
'62001': ['Dust Dry', 'unknown'],
'62002': ['water In Ambient', 'unknown'],
'62003': ['Ammonium Dry', 'unknown'],
'62004': ['Nitrate Dry', 'unknown'],
'62005': ['Nitric Acid Trihydrate', 'unknown'],
'62006': ['Sulphate Dry', 'unknown'],
'62007': ['Mercury Dry', 'unknown'],
'62008': ['Sea Salt Dry', 'unknown'],
'62009': ['Black Carbon Dry', 'unknown'],
'62010': ['Particulate Organic Matter Dry', 'unknown'],
'62011': ['Primary Particulate Organic Matter Dry', 'unknown'],
'62012': ['Secondary Particulate Organic Matter Dry', 'unknown'],
'62034': ['Brown Carbon Dry', 'unknown'],
'62035-65534': ['Reserved', 'unknown'],
'65535': ['Missing', 'unknown']
}

table_4_233 = {
'0':['Ozone','O3'],
'1':['Water Vapour','H2O'],
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