MergeLysozyme0.csh

#!/bin/csh -f

set trial1=${1}
set trial2=${2}
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 = 3,4,5,6,7,10,12,14,16,17,18,19,21,24,25,26,27,28,29,30,32,33,34,35,36,37,38,39,40
set datastring1=`python -c "print' '.join(['data=${datadir1}/r%04d/${trial1}/integration'%i for i in [${runs1}]])"`
set datastring2=`python -c "print' '.join(['data=${datadir2}/r%04d/${trial2}/integration'%i for i in [${runs2}]])"`
set tag=last_BT_${trial1}_${trial2}_2.1_


set tag = "4etc"

set effective_params = "d_min=2.1 \
output.n_bins=10 \
${datastring1} \
${datastring2} \
model=(path to user home)/USERNAME/myrelease/cxi84914/${tag}.pdb \
backend=FS \
pixel_size=0.11 \
nproc=16 \
merge_anomalous=False \
plot_single_index_histograms=False \
raw_data.sdfac_auto=True \
scaling.mtz_file=(path to user home)/USERNAME/myrelease/cxi84914/${tag}.mtz \
scaling.mtz_column_F=iobs \
scaling.show_plots=False \
scaling.algorithm=mark0 \
scaling.log_cutoff=2. \
scaling.show_plots=True \
scaling.report_ML=True \
postrefinement.enable=False \
set_average_unit_cell=True \
rescale_with_average_cell=False \
significance_filter.sigma=0.5 \
min_corr=0.1 \
output.prefix=GdLysozymeanom_${tag}"

set eff_params2 = `echo $effective_params|sed -e "s/anomalous=False/anomalous=True/g"|sed -e "s/anom_/noanom_/g"`

cxi.merge ${effective_params}
cxi.xmerge ${effective_params}

cxi.merge ${eff_params2}
cxi.xmerge ${eff_params2}