Hello Tim :-)
You can try to do this with sftools. It is also an interactive type of program input but you can easily calculate correlations. After converting xds files to mtz, you can try some thing like this :
sftools << eof > sftools_1.log
READ $mtz1
READ $mtz2
SELECT RESOL > 2.8
CORREL COL 5 10 SHELLS 10
eof
For the ploting, I'll use gnuplot after parsing the sftools_1.log file.
Good luck with this,
Cheers,
Pierre
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De : CCP4 bulletin board [[log in to unmask]] de la part de Tim Gruene [[log in to unmask]]
Envoyé : vendredi 14 mars 2014 10:33
À : [log in to unmask]
Objet : [ccp4bb] pairwise CCano
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Dear all,
I am looking for a tool that prints (and preferably plots, e.g. as
postscript) the pairwise anomalous CC vs. resolution for several input
HKL-files.
xprep does this, but it is interactive and requires a fair bit of
typing. Since I have a large number of HKL-files from XDS, I would like
to script that and then flip through the pages of the postscript-plots.
I looked into pointless but could not find even a table.
Since there recently were some publications one the use of many files
for phasing, I though such a tool should exist!?
Best,
Tim
- --
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Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
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