MergeLysozyme0.csh

#!/bin/csh -f

set runs = 21,22,23,24,25,26,27
 
set datastring  = `python -c "print ' '.join(['data=../../results/e157/r%04d/003/integration'%i for i in [${runs}]])"`

set tag = "2tli"

set effective_params = "d_min=2.1 \
output.n_bins=10 \
${datastring} \
model=/reg/neh/home3/USERNAME/myrelease/cxi84914/${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=/reg/neh/home3/USERNAME/myrelease/cxi84914/${tag}.mtz \
scaling.mtz_column_F=iobs \
scaling.show_plots=False \
scaling.algorithm=mark0 \
scaling.log_cutoff=2. \
scaling.show_plots=True \
scaling.report_ML=True \
postrefinement.enable=False \
set_average_unit_cell=True \
rescale_with_average_cell=False \
significance_filter.sigma=0.5 \
min_corr=0.1 \
output.prefix=thermoanom_${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}