diff --git a/pure code not instalable as environment/PDF_generator.py b/pure code not instalable as environment/PDF_generator.py index 12a5c6f3097307bdffa25ee957b7d6aac242df2f..55b56c9cb70de84dd457c55b3f9fd89a6d1609e3 100644 --- a/pure code not instalable as environment/PDF_generator.py +++ b/pure code not instalable as environment/PDF_generator.py @@ -31,35 +31,10 @@ meas_sampleName = 'lk_zns_insitu_1_00001' #filename meas_path = r'C:\Users\admin\Nextcloud\MyData\bt_1222\in_situ_reactions\varex\data\Original\lk_zns_insitu_1_00001\\' #integrated data path meas_tempPath = r'C:\Users\admin\Nextcloud\MyData\bt_1222\in_situ_reactions\varex\metadata\lk_zns_insitu_1_00001\\' #metadat path -# # BG file name (directories for integrated data and metadata should be keept constant throughout the beamtime) -# bg_sampleName = 'fc_bg_zns_1cm_1' #filename -# bg_path = None #integrated data path -# bg_tempPath = None #metadat path - -# # Measurment file name (directories for integrated data and metadata should be keept constant throughout the beamtime) -# meas_sampleName = 'fc_zns_1cm_3' #filename -# meas_path = None #integrated data path -# meas_tempPath = None #metadat path - -# # BG file name (directories for integrated data and metadata should be keept constant throughout the beamtime) -# bg_sampleName = 'background_zns_2p_10_2' #filename -# bg_path = '/home/groenetj/Documents/Beamtime0423/processed/' + bg_sampleName + "/" #integrated data path -# bg_tempPath = '/asap3/petra3/gpfs/p21.1/2023/data/11017732/raw/pe/ac_cell/' + bg_sampleName + "/" #metadat path - -# # Measurment file name (directories for integrated data and metadata should be keept constant throughout the beamtime) -# meas_sampleName = 'zns_2p_10_2' #filename -# meas_path = '/home/groenetj/Documents/Beamtime0423/processed/' + meas_sampleName + "/" #integrated data path -# meas_tempPath = '/asap3/petra3/gpfs/p21.1/2023/data/11017732/raw/pe/ac_cell/' + meas_sampleName + "/" #metadat path - -# # path and temp_path could also be set to None if reload .mat files are used. -# bg_Reload = rootdir + '/Testsets/' + meas_sampleName + '/Reload_files/bg_Reload/' + bg_sampleName + '.mat' -# meas_Reload = rootdir + '/Testsets/' + meas_sampleName + '/Reload_files/meas_Reload/' + meas_sampleName + '.mat' - # path and temp_path could also be set to None if reload .mat files are used. bg_Reload = None #rootdir + '/processed/' + meas_sampleName + '/Reload_files/bg_Reload/' + bg_sampleName + '.mat' meas_Reload = None #rootdir + '/processed/' + meas_sampleName + '/Reload_files/meas_Reload/' + meas_sampleName + '.mat' - # Correction factors to subtract as well empty glas to counter deviations in cell manufacturing empty_glas_int =0 # -0.0009683967395722652#-0.01#*(1/120) #0.01 # 0.014 #0.0210336 empty_glas = None #'C:/Users/admin/Nextcloud/Beamtimes/bt_0423/XRD_detailed/empty_ac_cell_inlet_180_10_Av120.chi' @@ -90,23 +65,7 @@ references = { 'ZnS Sph': {'path': rootdir + "/References/ZnS Sphalerite.cif", 'decay_rate': 0.8},} #you an add more if nessicarry, just add another three lined block -# Prior to .cif I used .int files generated by Vesta for 100 keV like this: - -#references = { 'Fe3S4 cb': {'path': rootdir + "/References/Fe3S4 cubic.int", #Change here references name (Copper) and path (/References/cu.int) to acces other references - # 'skiprows': 2, #skiprows and Energy are all normed to be the same - # 'energy': 100} , - # 'Fe3O4':{'path': rootdir + "/References/Fe3O4.int", - # 'skiprows': 2, - # 'energy': 100}, - # 'Fe2O3': {'path': rootdir + "/References/fe2o3.int", - # 'skiprows': 2, - # 'energy': 100} , - # 'Fe':{'path': rootdir + "/References/Fe.int", - # 'skiprows': 2, - # 'energy': 100}, - # 'Fe3S4 trig': {'path': rootdir + "/References/Fe3S4 trigonal.int", - # 'skiprows': 2, - # 'energy': 100} ,} #you an add more if nessicarry, just add another three lined block 6 +# Legacy note: Prior to .cif I used .int files generated by Vesta for 100 keV ends_with = '.dat' # this can differe for differnet live integrations used, but should be the same for one beamtime @@ -264,32 +223,3 @@ meas.I = meas.subtracted_I # Here we create the .dat for PDFgetX3 to take: meas.outputDatFile(rootdir + '/processed/' + meas_sampleName + '/Dat_files/meas_type2_corrected_prior_Dat/') - - -#~~~~~~~~~~~~~~~~~~~ PDF Type 2 ~~~~~~~~~~~~~~~~~~~~~~# -#Set the directorys: -outputPath = rootdir + '/processed/' + meas_sampleName + '/PDF_files/meas_type2_corrected_prior_PDF' -dataPath = rootdir + '/processed/' + meas_sampleName + '/Dat_files/meas_type2_corrected_prior_Dat/' -bgPath = None # Data is here already subtracted - -# Generate the PDF and log. -meas.generatePDF(dataPath, bgPath, outputPath, Composition, Qmaxinst, Qmax, Qmin, Rmax, Rpoly) -meas.PrintLogFile(rootdir + '/processed/' + meas_sampleName + '/Log_files/meas_type2_corrected_prior_Log/') -#~~~~~~~~~~~~~~~~~ PDF Type 2 end ~~~~~~~~~~~~~~~~~~~~~~# - - - -#~~~~~~~~~~~~~~~~~~~ PDF Type 3 ~~~~~~~~~~~~~~~~~~~~~~# -# If commented out above: -Qmaxinst = Qmaxinst_integrate - -#Set the directorys: -# Here we corrected both BG and sample by filtering, baseline subtraction or both -outputPath = rootdir + '/processed/' + meas_sampleName + '/PDF_files/meas_type3_corrected_after_PDF' -dataPath = rootdir + '/processed/' + meas_sampleName + '/Dat_files/meas_type3_corrected_after_Dat/' -bgPath = rootdir + '/processed/' + meas_sampleName + '/Dat_files/bg_type3_corrected_after_Dat/' - -# Generate the PDF and log. -meas.generatePDF(dataPath, bgPath, outputPath, Composition, Qmaxinst, Qmax, Qmin, Rmax, Rpoly) -meas.PrintLogFile(rootdir + '/processed/' + meas_sampleName + '/Log_files/meas_type3_corrected_after_Log/') -#~~~~~~~~~~~~~~~~~ PDF Type 3 end ~~~~~~~~~~~~~~~~~~~~~~# \ No newline at end of file