PM2.5 calculation in CMAQ version 5.3.1

My colleague used CMAQ version 5.3.1 and shared the output data with me.
I want to calculate PM2.5 using the variables in this output file and proceed with my research.
As I understand, PM2.5 is basically calculated as:

PM2.5=PM25AT×Aitken mode mass+PM25AC×Accumulation mode mass+PM25CO×Coarse mode mass\text{PM2.5} = \text{PM25AT} \times \text{Aitken mode mass} + \text{PM25AC} \times \text{Accumulation mode mass} + \text{PM25CO} \times \text{Coarse mode mass}PM2.5=PM25AT×Aitken mode mass+PM25AC×Accumulation mode mass+PM25CO×Coarse mode mass

I do have the variables PM25AT, PM25AC, and PM25CO in my dataset, but I am unsure which specific variables I should use to calculate PM2.5 correctly.
Here is a list of the main variables I have:

‘TFLAG’, ‘NO2’, ‘NO’, ‘O’, ‘O3’, ‘NO3’, ‘O1D’, ‘OH’, ‘HO2’, ‘H2O2’, ‘N2O5’, ‘HNO3’, ‘HONO’, ‘PNA’, ‘SO2’, ‘SULF’, ‘SULRXN’, ‘C2O3’, ‘MEO2’, ‘RO2’, ‘PAN’, ‘PACD’, ‘AACD’, ‘CXO3’, ‘ALD2’, ‘XO2H’, ‘PANX’, ‘FORM’, ‘MEPX’, ‘MEOH’, ‘ROOH’, ‘XO2’, ‘XO2N’, ‘XPAR’, ‘XPRP’, ‘NTR1’, ‘NTR2’, ‘FACD’, ‘CO’, ‘HCO3’, ‘ALDX’, ‘GLYD’, ‘GLY’, ‘MGLY’, ‘ETHA’, ‘ETOH’, ‘KET’, ‘PAR’, ‘ACET’, ‘PRPA’, ‘ROR’, ‘ETHY’, ‘ETH’, ‘OLE’, ‘IOLE’, ‘ISOP’, ‘ISO2’, ‘ISOPRXN’, ‘ISPD’, ‘INTR’, ‘ISPX’, ‘HPLD’, ‘OPO3’, ‘EPOX’, ‘IEPOXP’, ‘EPX2’, ‘TERP’, ‘APIN’, ‘TERPNRO2’, ‘MTNO3’, ‘TRPRXN’, ‘BENZENE’, ‘CRES’, ‘BZO2’, ‘OPEN’, ‘BENZRO2’, ‘TOL’, ‘TO2’, ‘TOLRO2’, ‘XOPN’, ‘XYLMN’, ‘XLO2’, ‘XYLRO2’, ‘NAPH’, ‘PAHRO2’, ‘CRO’, ‘CAT1’, ‘CRON’, ‘OPAN’, ‘ECH4’, ‘CL2’, ‘CL’, ‘HOCL’, ‘CLO’, ‘FMCL’, ‘HCL’, ‘CLNO2’, ‘CLNO3’, ‘SESQ’, ‘SESQRXN’, ‘SOAALK’, ‘H2NO3PIJ’, ‘H2NO3PK’, ‘VLVPO1’, ‘VSVPO1’, ‘VSVPO2’, ‘VSVPO3’, ‘VIVPO1’, ‘VLVOO1’, ‘VLVOO2’, ‘VSVOO1’, ‘VSVOO2’, ‘VSVOO3’, ‘PCVOC’, ‘PCSOARXN’, ‘FORM_PRIMARY’, ‘ALD2_PRIMARY’, ‘BUTADIENE13’, ‘ACROLEIN’, ‘ACRO_PRIMARY’, ‘TOLU’, ‘HG’, ‘HGIIAER’, ‘HGIIGAS’, ‘SVAVB1’, ‘SVAVB2’, ‘SVAVB3’, ‘SVAVB4’, ‘ASO4J’, ‘ASO4I’, ‘ANH4J’, ‘ANH4I’, ‘ANO3J’, ‘ANO3I’, ‘AISO1J’, ‘AISO2J’, ‘ASQTJ’, ‘AORGCJ’, ‘AECJ’, ‘AECI’, ‘AOTHRJ’, ‘AOTHRI’, ‘AFEJ’, ‘AALJ’, ‘ASIJ’, ‘ATIJ’, ‘ACAJ’, ‘AMGJ’, ‘AKJ’, ‘AMNJ’, ‘ACORS’, ‘ASOIL’, ‘NUMATKN’, ‘NUMACC’, ‘NUMCOR’, ‘SRFATKN’, ‘SRFACC’, ‘SRFCOR’, ‘AORGH2OJ’, ‘AH2OJ’, ‘AH2OI’, ‘AH3OPJ’, ‘AH3OPI’, ‘ANAJ’, ‘ANAI’, ‘ACLJ’, ‘ACLI’, ‘ASEACAT’, ‘ACLK’, ‘ASO4K’, ‘ANH4K’, ‘ANO3K’, ‘AH2OK’, ‘AH3OPK’, ‘AISO3J’, ‘AOLGAJ’, ‘AOLGBJ’, ‘AGLYJ’, ‘AMTNO3J’, ‘AMTHYDJ’, ‘APOCI’, ‘APOCJ’, ‘APNCOMI’, ‘APNCOMJ’, ‘APCSOJ’, ‘ALVPO1I’, ‘ASVPO1I’, ‘ASVPO2I’, ‘ALVPO1J’, ‘ASVPO1J’, ‘ASVPO2J’, ‘ASVPO3J’, ‘AIVPO1J’, ‘ALVOO1I’, ‘ALVOO2I’, ‘ASVOO1I’, ‘ASVOO2I’, ‘ALVOO1J’, ‘ALVOO2J’, ‘ASVOO1J’, ‘ASVOO2J’, ‘ASVOO3J’, ‘AAVB1J’, ‘AAVB2J’, ‘AAVB3J’, ‘AAVB4J’, ‘AMT1J’, ‘AMT2J’, ‘AMT3J’, ‘AMT4J’, ‘AMT5J’, ‘AMT6J’, ‘NH3’, ‘SVISO1’, ‘SVISO2’, ‘SVSQT’, ‘LVPCSOG’, ‘SVMT1’, ‘SVMT2’, ‘SVMT3’, ‘SVMT4’, ‘SVMT5’, ‘SVMT6’, ‘WVEL’, ‘RH’, ‘TA’, ‘PRES’

‘STDEVATKN’, ‘STDEVACC’, ‘STDEVCOR’, ‘DGATKN_DRY’, ‘DGACC_DRY’, ‘DGCOR_DRY’, ‘DGATKN_WET’, ‘DGACC_WET’, ‘DGCOR_WET’, ‘M2ATKN_WET’, ‘M2ACC_WET’, ‘M2COR_WET’, ‘M3ATKN_DRY’, ‘M3ACC_DRY’, ‘M3COR_DRY’, ‘M3ATKN_WET’, ‘M3ACC_WET’, ‘M3COR_WET’, ‘RH’, ‘PM1AT’, ‘PM1AC’, ‘PM1CO’, ‘PM25AT’, ‘PM25AC’, ‘PM25CO’, ‘PM10AT’, ‘PM10AC’, ‘PM10CO’, ‘AMSAT’, ‘AMSAC’, ‘AMSCO’, ‘GAMMA_N2O5’, ‘GAMMA_N2O5K’, ‘YIELD_CLNO2’, ‘YIELD_CLNO2K’, ‘GAMMA_IEPOX’, ‘DENS_ATKN’, ‘DENS_ACC’, ‘DENS_COR’

Could you please advise me on which variables should be used to calculate PM2.5?

Hello @active3734 ,

you can find equations for PM2.5 species and total mass calculations for the cb6r3_ae7_aq mechanism in this species definitions file. The file is intended for use with the combine utility but you can also use it as starting point for writing equations for your own analysis tools.

Christian

Thank you for the explanation!
By the way, can I calculate IPR, one of the Process Analysis ¶ components, in the same way?
I want to check the IPR of PM2.5, and I see that one of its sources, ASO4I, is divided into ZADV, HADV, EMIS, etc.