Table 7. Description of files distributed with the data base. (See Appendix C for more information on the programs and modeling files.) -------------------------------------------------------------- Name Note Description -------------------------------------------------------------- Files in Directory = [ROOT] _README TXT Summary and brief installation instructions. INSTALL BAT Batch file to install files on hard disk in this directory structure. FILES TAB This table in ASCII format. FILES LIS Listing of files on as they would be in the directory structure after a successful installation. DISTRUNS LIS List of RunID's for all runs in distribution. chamUSE LIS List of RunID's for all runs in a chamber, where "cham" is EC, ITC, ETC, DTC, or XTC. DTCUSEAB LIS List of Run and Side ID's for all DTC runs. The following are used for modeling only. EXAMPLE BAT Batch file to run example model simulations. See comments in file. MODELING PRM Defaults and locations of files used by modeling programs CHA2CHD BAT Batch file to create the chamber data binary (.CHD) files required by the modeling programs from the chamber data (.CHA) files in the distribution. Uses CHADCONV. CB4 PRM Parameters and locations of files for modeling runs using the CB4 mechanisms SAPRC90 PRM Parameters and locations of files for modeling runs using the SAPRC-90 mechanism CB4 EXT [b] Listing of calculation numbers for runs modeled using the CB4 mechanisms. Produced by INTRUM. Required by SPL to plot modeling results. SAPRC90 EXT [b] Listing of calculation numbers for runs modeled using the SAPRC-90 mechanisms. ALLcham BAT Batch file to run a selected program or batch file for all the runs in an undivided chamber, where "cham" is EC, ITC, ETC, or XTC (not DTC). ALLDTC1 BAT As above, program or batch file called for each DTC run. ALLDTC2 BAT As above, program or batch file called for each DTC run-side. Files in Directory = [ROOT]\CHAFILES These contain the chamber data files in ZIP format. Files for individual runs must be manually extracted using PKUNZIP. ECCHA1 ZIP Files for EC runs with numbers through 399. ECCHA2 ZIP Files for EC runs with numbers 400 and above. ITCCHA1 ZIP Files for ITC runs with numbers through 799. ITCCHA2 ZIP Files for ITC runs with numbers 800 and above. ETCCHA1 ZIP Files for ETC runs with numbers through 299. ETCCHA2 ZIP Files for ETC runs with numbers 300 and above. DTCCHA ZIP Files for all DTC runs XTCCHA ZIP Files for all XTC runs. Files in Directory = [ROOT]\SHEETS RUNSORT XLS Merged modeler's spreadsheets, sorted by run classification. Listed in Table A-1. EC-USE XLS Master Excel 5 spreadsheet file for EC runs. The spreadsheets in these files are as follows. (For this and the other chambers there is one .CSV file for each sheet, with the .CSV file name same as the sheet name.) Sheet Description EC-USE Master spreadsheet (Listed in Table A-2) EC-TYPE Modeler's spreadsheet EC-PRDS Summary of O3 and PAN data EC-NOX Summary of NOx data EC-VOC Summary of injected VOC data EC-LITE Summary of light characterization data EC-MISC Miscellaneous summaries EC-PRMS Constants and parameters used in the EC spreadsheets Files in Directory = [ROOT]\SHEETS (continued) ITC-USE XLS Master Excel 5 Spreadsheet for the ITC runs. The spreadsheets are as follows: Sheet Description ITC-USE Master spreadsheet (Listed in Table A-3) ITC-TYPE Modeler's spreadsheet ITC-PRDS Summary of O3 and PAN data ITC-NOX Summary of NOx data ITC-VOC Summary of injected VOC data ITC-MISC Miscellaneous summaries ITC-PRMS Constants and parameters used in the ITC spreadsheets ETC-USE XLS Master Excel 5 Spreadsheet for the ETC runs. The spreadsheets are as follows: Sheet Description ETC-USE Master spreadsheet (Listed in Table A-4) ETC-TYPE Modeler's spreadsheet ETC-O3 Summary of O3 and PAN data ETC-NOX Summary of NOx data ETC-VOC Summary of injected VOC data ETC-MISC Miscellaneous summaries ETC-K1 Summary of actinometry results and k1 assignments. ETC-PRMS Constants and parameters used in the ITC spreadsheets DTC-USE XLS Master Excel 5 Spreadsheet for the DTC runs. The spreadsheets are as follows: Sheet Description DTC-USE Master spreadsheet (Listed in Table A-5) DTC-TYPE Modeler's spreadsheet DTC-O3 Summary of O3 and PAN data DTC-NOX Summary of NOx data DTC-VOC Summary of injected VOC data DTC-MISC Miscellaneous summaries DTC-DIL Dilution information DTC-k1 Summary of actinometry results and k1 assignments. DTC-PRMS Constants and parameters used in the ITC spreadsheets XTC-USE XLS Master Excel 5 Spreadsheet for the XTC runs. The spreadsheets are as follows: Sheet Description XTC-USE Master spreadsheet (Listed in Table A-6) XTC-TYPE Modeler's spreadsheet XTC-O3 Summary of O3 and PAN data XTC-NOX Summary of NOx data XTC-VOC Summary of injected VOC data XTC-MISC Miscellaneous summaries XTC-K1 Summary of actinometry results and k1 assignments. XTC-LICO Summary of light intensity information derived from LiCor. XTC-LUNI Summary of results of light uniformity tests. XTC-PRMS Constants and parameters used in the ITC spreadsheets ECK1 XLS Excel 5 Spreadsheet of EC NO2 actinometry data ITCK1 XLS Excel 5 Spreadsheet of ITC actinometry data. Contains the following sheets. (The "File" column gives the name for the corresponding CSV file.) Sheet File Description ITCK1 ITCK1-A Main Summary NOx Chk ITCK1-B Tables summarizing consistency of NOx data Curve Fit ITCK1-C Formula used to calcu- late k1's for runs, and compari- sons of predicted vs experimen- tal k1's. Files in Directory = [ROOT]\SHEETS (continued) RUNTYPE XLS Excel 5 spreadsheet giving classification codes for runs which were used in the modelers' spreadsheets, and the code numbers to sort them for the MODELRUN.XLS file. DMS XLS Excel 5 spreadsheet giving SAPRC-90 detailed model species, their OH radical rate constants, number of carbons, etc. Files in Directory = [ROOT]\SOURCE SUBS LIB Utility subroutines needed to prepare executable files for a mechanism. Files in Directory = [ROOT]\SOURCE\CHDATA CALRUN FOR Source file for the CALRUN program. GCALRUN FOR Source file for the GCALRUN program. CALSUBS FOR Source file for subroutines used by CALRUN and GCALRUN. CALBLD BAT Compiles and links CALRUN and GCALRUN. Requires Lahey F77L. Files in Directory = [ROOT]\SOURCE\INT INT LIB Subroutines needed to prepare executable files for a mechanism. Files in Directory = [ROOT]\PGMS PKUNZIP EXE Program to extract files from the .ZIP files in the distribution diskettes. GCALRUN EXE Program to produce calibration assignments for species measured by GC. See text. CALRUN EXE Program to produce calibration assignments for other species. See text. CHADCONV EXE Converts chamber run files from .CHA to .CHD formats, and vise-versa. (Chamber data are distributed in ASCII format in the .CHA files, but most modeling programs require these data to be in the binary .CHD format.) PRP EXE Prepares a mechanism for model simulations. PREP EXE Used by PRP.EXE to prepare mechanisms for model simulations. INTCL BAT Used by the mechanism preparation program to compile the mechanism-specific subroutine and produce the mechanism-specific executable file. RCHADINP EXE Produces model input (.INP) files for a chamber run using data in the run's CHD file. INTRUN EXE Does a model simulation of a chamber run for a specified model. LUMPGEN EXE Used by INTRUN.EXE to simulate runs using the CB4 mechanism. LUMPINT EXE Used by INTRUN.EXE to simulate runs using the SAPRC-90 mechanism. DO3NO EXE Creates O3-NO channels for model calculations. Used by INTRUN.EXE. INTFILE BAT Can be used to create a mechanism-specific input (.INT) file for a run. INT EXE Does a model simulation taking input from a mechanism-specific input (.INT) file CDT2CSV EXE Creates calculation results files in comma separated value format. PLTSRUN BAT Produces plots to screen of chamber data and (optionally) model simulations of these data for a run. CHADSPL EXE Produces a SPL plot input file for a chamber run and optionally a model simulation of the run. Used by PLTSRUN.BAT. SPL EXE Produces plots to the screen using data in .SPL files. Can be used to plot calibration .SPL files. Used by PLTSRUN.BAT. SPL88 EXE Same as SPL allows for output to go to a printer or a HPGL file. SUMCALC EXE Produces summary of calculation results in a .CSV file which can be read by spreadsheet programs to produce statistical summaries of model fits. Files in Directory = [ROOT]\CHAR Chamber-dependent model input parameters for a given chamber and characterization set. EC-01 CHR EC runs at ~50% RH and ~303øK. EC-11 CHR EC runs at ~5% RH and ~303øK. ITC-bb CHR ITC runs using reaction bag no "bb". ETC-01 CHR ETC runs before vacuum injection procedure implemented for NOx. (HONO contamination) ETC-02 CHR ETC runs after vacuum injected NOx implemented. First reaction bag. ETC-03 CHR ETC runs after vacuum injected NOx implemented. Second reaction bag. Files in Directory = [ROOT]\CHAR (continued) DTC-02 CHR DTC runs at ~50% RH XTC-01 CHR Conditions of all XTC runs in data set. EC-1989 SDR Detailed spectral distribution for the EC taken in 1989. Recommended spectrum for modeling EC runs is derived from this and the spectral distribution measurement data for the individual runs.) ITCUSE SDR Recommended spectral distribution for modeling ITC runs. TMP SDR [b] Spectral distribution of the last EC run which was modeled. (Temporary file created by INTRUN by adjusting EC-1989.SDR to be consistent with the spectral distribution assigned for the individual run. Included as an example þ can be deleted.) Files in Directory = [ROOT]\INPFILES runid INP [c] Input file for modeling run "runid". One for each run (or run+side) which has the necessary model input data defined. Created by RCHADINP. Files in Directory = [ROOT]\MECH PLTNAMES LIS List of species to be plotted. Required by CHADSPL.EXE and PLTSRUN.BAT. OLDNAMES LPM List of special channel names in runs which are not detailed model species in mechanism files. DMS PRM List of SAPRC detailed model species. Used by some SAPRC modeling programs. Files in Directory = [ROOT]\MECH\CB4 CB4_621 PRP Main mechanism preparation file for the UAM 6.21 version of the Carbon Bond mechanism. CB4_621 RXC Most of the reactions in the UAM 6.21 version of the Carbon Bond mechanism. WALLS RXC Chamber-dependent model reactions. * PHF Photolysis absorption cross sections and quantum yields for the Carbon Bond mechanism. Required by the mechanism preparation program. (These were derived to approximate the UAM 6.21 photolysis rates using an appropriate set of actinic fluxes. No documentation of the UAM photolysis rates actually used in the UAM exists, and we were unable to duplicate them exactly.) CB4_621 PRO [d] Mechanism listing file output by the preparation program. CB4_621 MOD [d] Mechanism data file output by the preparation program, and required when running CB4_621.EXE. CB4_621 EXE [d] Program to do model simulations using the UAM 6.21 version of the Carbon Bond mechanism. Produced when running PRP.EXE to prepare the model. CB4 LCC Assignments of Carbon Bond species to detailed model species. Used by modules called by INTRUN when modeling runs with this mechanism. (This set was used by Systems Applications, Inc. for conducting UAM simulations for Phase 2 of the Auto/Oil Air Quality Improvement Program [Yarwood, private communication]). Files in Directory = [ROOT]\MECH\SAPRC90 FILES DOC Description of the files in this directory. (Also describes files which are needed for reactivity calculations, but are not on this distribution.) PRPCHAM BAT Batch file to prepare the various mechanism files used for modeling chamber runs. LMPA PRP Main model input file for simulating runs with no alkanes, aromatics, or alkenes. LMPA01 PRP Main model input file for simulating runs with only one alkene. LMPA1 PRP Main model input file for simulating runs with only one alkane or aromatic. LMPA84 PRP Main model input file for simulating mixture runs. * RXN Reaction mechanism files. See FILES.DOC. * PHF Photolysis absorption cross section and quantum yields. LMPA* MOD [d] Mechanism data files for the corresponding .EXE file LMPA* EXE [d] Programs to do model simulations for the different types of runs with this mechanism. CHAMCALC LPC Lumping control file for use when modeling chamber runs using SAPRC-90 mechanism. * LPM Assignment files for the SAPRC-90 mechanism which are referenced in CHAMCALC.LPM. Files in Directory = [ROOT]\CHDFILES runid CHD [b] Chamber data files in binary format which are required for plotting the chamber data using SPL or for producing .INP files using RCHADINP. Produced from the corresponding .CHA file using CHADCONV. Files in Directory = [ROOT]\CDTFILES CALCnnnn CDT [b] Model calculation results file, where "nnnn" is the calculation number. Produced by the model simulation program when running INTRUN. The calculation number is associated with the run in the model's .EXT file. CALC PRM [b] File containing the last calculation number used. If this file does not exist, the program creates it, and assigns "0001" to the first calculation. Files in Directory = [ROOT]\CALCCSV CALCnnnn CSV [b] Calculation output files in comma separated value format. Produced by CDT2CSV.EXE. Files in Directory = [ROOT]\ZIPFILES Contains the folowing ZIP files, whose contents can be manually extracted using PKUNZIP. Files in [ROOT]\ZIPFILES\INSFILES.ZIP [e] chamUSE INS Channel and instrument summary file for the runs in a chamber, where "cham" is EC, ITC, ETC, DTC, or XTC. See Section 2.2.3 Files in [ROOT]\ZIPFILES\CALFILES.ZIP [e] Dnnnn CAL Calibration files for the Dasibi O3 instruments ("nnnn" is the instrument ID number). NOnnnn CAL NO span calibration files for where such information could be found. CFnnnn CAL Results of NO2 converter efficiency checks, in calibration file format. GCnnnn CAL Calibration files for all of the GC instruments for which such data could be found. DS-HCHO CAL Calibration file for the diffusion scrubber (Dasgupta) formaldehyde monitor * OUT [a] CALRUN or GCALRUN output showing how calibrations were assigned to runs. * TAB [a] CALRUN or GCALRUN output giving summaries of the calibrations and their assignments. * SPL [a] CALRUN or GCALRUN output which the SPL program can use to plot the calibration data. Files in [ROOT]\ZIPFILES\CSVFILES ZIP [e] * CSV Condensed archive file containing all the spreadsheets in comma separated value format. There is one such file for each of the spreadsheets in [root]\SHEETS. -------------------------------------------------------------- [a] These files can be created by running CALRUN or GCALRUN, but they are also in the distribution. [b] These files are produced by the program indicated. They are not included in the distribution. [c] These files can be created by the program indicated, but are also in the distribution in INPFILES.ZIP, and can be extracted manually from there using PKUNZIP. [d] These files can be created by running PRP for each of the .PRP files, but are also in the distribution. [e] These files are not copied to the directory structure by, INSTALL.BAT. They can be installed manually from the indicated ZIP file if desired.