XDSSTAT is a home-brewn program that prints various statistics (that are not available from XDS itself) in the form of tables and images.
== Usage ==
The program reads from a file written by CORRECT or XSCALE (
default: XDS_ASCII. HKL).
As the output is long, it should be called as
xdsstat > XDSSTAT.LP
will probably soon be changed to the XDS style.
The program may be called with two parameters which define the resolution range of data to be read:
xdsstat 20 3 > XDSSTAT.LP
== Features ==
=== Tables ===
* statistics (
R-factors, misfits, unique reflections, correlation ...) for each frame. These lines end with " L" which may be used for grepping these lines from XDSSTAT.LP.* R-factors as a function of frame number difference (R<math>_d</math> , see [http://strucbio.biologie.uni-konstanz.de/strucbio/files/Diederichs_ActaD62_96.pdf Diederichs K. (2006) Some aspects of quantitative analysis and correction of radiation damage. Acta Cryst D62, 96-101]). These lines end with " DIFFERENCE" which may be used for grepping these lines from XDSSTAT.LP .
=== Images ===
The following quantities mapped onto the detector surface:
* misfits.pck: outliers identified in CORRECT. Useful e.g. to identify [[ice rings]].
* rf.pck: R-factor* anom.pck: anomalous signal* scales.pck:
scale factors between symmetry-related reflections
* nobs.pck: observed reflections (not very interesting)
* rlps.pck: reciprocal lorentz factor (not very interesting)
These images are in the .pck format and may be visualized
by VIEW .
== Availability ==
For now please send email to Kay dot Diederichs at uni-konstanz dot de. The binary program will soon be put on my webpages. The source code is in Fortran90 and requires a Fortran90-compiled CCP4 library, so few people are currently in a position to compile and link the program . I might opensource it someday, but preferably as part of the XDS distribution.