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Xdscc12

106 bytes added, 17:21, 14 December 2016
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The program can be downloaded for [ftp://turn5.biologie.uni-konstanz.de/pub/xdscc12.rhel6.64 Linux 64bit] or [ftp://turn5.biologie.uni-konstanz.de/pub/xdscc12-mac Mac].
Usage (this text can be obtained with <code>xdscc12 -h</code>):
<pre>
usage: deltacc12 xdscc12 -dmin <lowres> -dmax <highres> -nbin <nbin> -mode <1 or 2> -<abcdeftwzabcdeftwrz> FILE_NAME
dmax (default 999A), dmin (default 1A) and nbin (default 10) have the usual meanings.
mode can be 1 (equal volumes of resolution shells) or 2 (increasing volumes; default).
-t: total oscillation (degree) to batch fine-sliced frames into
-r: also show CC against reference dataset (e.g. Icalc from model)
other options can be combined (e.g. -def), and switch the following off:
-a: individual isomorphous summary values
</pre>
The program output is terse but supposed to be self-explanatory. Part of it is most easily visualized via XDSGUI, however, that currently only deals with the isomorphous signal of a batch of frames (width chosen with the -t option) relative to all data.
For multiple datasets, the output lines show the contribution of each dataset toward the total CC<sub>1/2</sub>. Negative numbers indicate a worsening of the overall signal.
All statistics Statistics are given (in resolution shells) for the isomorphous and the anomalous signal.
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