MergeLysozyme.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}_1.8_

set effective_params="d_min=1.8 \
output.n_bins=20 \
${datastring1} \
${datastring2} \
target_unit_cell=79,79,38,90,90,90 \
target_space_group=P43212 \
nproc=16 \
pixel_size=0.11\
merge_anomalous=False \
merging.refine_G_Imodel=True\
plot_single_index_histograms=False \
raw_data.sdfac_auto=True \
backend=FS\
mysql.runtag=${tag} \
mysql.passwd=terp888 \
mysql.user=nick \
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}