MergeLysozyme.csh: Difference between revisions
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${datastring1} \ | ${datastring1} \ | ||
${datastring2} \ | ${datastring2} \ | ||
target_unit_cell= | target_unit_cell=79,79,38,90,90,90 \ | ||
target_space_group=P43212 \ | target_space_group=P43212 \ | ||
nproc=16 \ | nproc=16 \ |
Revision as of 18:51, 29 September 2014
$ vi bt_allmerge.csh #!/bin/csh -f #setting trial number that is not yet used by either run set trial=${13} set datadir1 = /reg/d/psdm/cxi/cxi84914/scratch/$USER/results/e239 set datadir2 = /reg/d/psdm/cxi/cxi84914/scratch/$USER/results/e240 set runs1 = 27, 28, 29, 31 set runs2 = 3, 4, 5 ,6, 7, 8, 9, 10, 12, 14, 15, 16, 17 , 18 , 19 , 21, 24, 25, 26, 27, 28, 29, 30, 32, 33, 34, 35, 36, 37, 38, 39, 40 set datastring1= `python -c "print ' '.join(['data=${datadir1}/r%04d/${trial}/integration'%i for i in [${runs}]])"` set datastring2= `python -c "print ' '.join(['data=${datadir2}/r%04d/${trial}/integration'%i for i in [${runs}]])"` set tag = last_BT_${trial} set effective_params = “d_min=1.8" \ output.n_bins=10 \ ${datastring1} \ ${datastring2} \ target_unit_cell=79,79,38,90,90,90 \ target_space_group=P43212 \ nproc=16 \ merge_anomalous=True \ merging.refine_G_Imodel=True\ plot_single_index_histograms=False \ raw_data.sdfac_auto=True \ mysql.runtag=${tag} \ mysql.passwd=terp888 \ mysql.user=tara \ mysql.database=xfelnks \ scaling.mtz_file="Gd-Lysozyme.mtz" \ scaling.show_plots=True \ scaling.algorithm=mark1 \ scaling.log_cutoff=3. \ scaling.mtz_column_F=f-obs \ set_average_unit_cell=True \ rescale_with_average_cell=True \ output.prefix=${tag}” cxi.merge ${effective_params} cxi.xmerge ${effective_params} $ ./bt_allmerge.csh 001