http://viper.lbl.gov:8080/cctbx.xfel/index.php?title=Mergethermo.csh&feed=atom&action=history
Mergethermo.csh - Revision history
2024-03-28T15:52:14Z
Revision history for this page on the wiki
MediaWiki 1.23.1
http://viper.lbl.gov:8080/cctbx.xfel/index.php?title=Mergethermo.csh&diff=575&oldid=prev
Nicksauter at 23:16, 25 August 2014
2014-08-25T23:16:13Z
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<td colspan='2' style="background-color: white; color:black; text-align: center;">← Older revision</td>
<td colspan='2' style="background-color: white; color:black; text-align: center;">Revision as of 23:16, 25 August 2014</td>
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<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>model=/reg/neh/home3/USERNAME/myrelease/cxi84914/${tag}.pdb \</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>model=/reg/neh/home3/USERNAME/myrelease/cxi84914/${tag}.pdb \</div></td></tr>
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<tr><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>merge_anomalous=False \</div></td><td class='diff-marker'> </td><td style="background-color: #f9f9f9; color: #333333; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #e6e6e6; vertical-align: top; white-space: pre-wrap;"><div>merge_anomalous=False \</div></td></tr>
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Nicksauter
http://viper.lbl.gov:8080/cctbx.xfel/index.php?title=Mergethermo.csh&diff=530&oldid=prev
Nicksauter: Created page with "<pre> #!/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 [${runs}]])"`..."
2014-08-20T20:12:56Z
<p>Created page with "<pre> #!/bin/csh -f set runs = 21,22,23,24,25,26,27 set datastring = `python -c "print ' '.join(['data=../../results/e157/r%04d/003/integration'%i for i in [${runs}]])"`..."</p>
<p><b>New page</b></p><div><pre><br />
#!/bin/csh -f<br />
<br />
set runs = 21,22,23,24,25,26,27<br />
<br />
set datastring = `python -c "print ' '.join(['data=../../results/e157/r%04d/003/integration'%i for i in [${runs}]])"`<br />
<br />
set tag = "2tli"<br />
<br />
set effective_params = "d_min=2.1 \<br />
output.n_bins=10 \<br />
${datastring} \<br />
model=/reg/neh/home3/USERNAME/myrelease/cxi84914/${tag}.pdb \<br />
backend=FS \<br />
nproc=16 \<br />
merge_anomalous=False \<br />
plot_single_index_histograms=False \<br />
raw_data.sdfac_auto=True \<br />
scaling.mtz_file=/reg/neh/home3/USERNAME/myrelease/cxi84914/${tag}.mtz \<br />
scaling.mtz_column_F=iobs \<br />
scaling.show_plots=False \<br />
scaling.algorithm=mark0 \<br />
scaling.log_cutoff=2. \<br />
scaling.show_plots=True \<br />
scaling.report_ML=True \<br />
postrefinement.enable=False \<br />
set_average_unit_cell=True \<br />
rescale_with_average_cell=False \<br />
significance_filter.sigma=0.5 \<br />
min_corr=0.1 \<br />
output.prefix=thermoanom_${tag}"<br />
<br />
set eff_params2 = `echo $effective_params|sed -e "s/anomalous=False/anomalous=True/g"|sed -e "s/anom_/noanom_/g"`<br />
<br />
cxi.merge ${effective_params}<br />
cxi.xmerge ${effective_params}<br />
<br />
cxi.merge ${eff_params2}<br />
cxi.xmerge ${eff_params2}<br />
</pre></div>
Nicksauter