Content-type: text/html Man page of X-GEN

X-GEN

Section: X-GEN Commands (1)
Updated: April 2005
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NAME

X-GEN - stats  

SYNOPSIS

stats [-on] [-bval] [rescut]  

DESCRIPTION

"stats" computes a variety of statistical indicia of the quality of a merged data set. It obtains R-factors broken down by intensity range and resolution range, and it determines how many unique reflections are missing from the data and and where the missing reflections fall in sin(theta)/lambda.

If the -n flag is set (see below), the counts of possible and merged reflections in each sin(theta)/lambda range will be given in terms of the Friedel-separated reflections, whereas the number missing will be given in terms of the Friedel-merged reflections. Thus suppose in a particular resolution range there are 8000 possible Friedel-separated reflections and 4200 possible Friedel-merged reflections. Suppose further that the user has measured 7800 of the 8000 Friedel-separated reflections, but he has measured 4150 of the 4200 possible Friedel-merged reflections. Then the relevant row of the completeness / redundancy table will indicate 7800 collected out of 8000, but the number missing will be 50.

-n
If this flag is on, "stats" will treat Bijvoet-related reflections as independent in counting present reflections and missing reflections, and in determining R factors.
-o
Ordinarily "stats" writes out a list of missing reflections, i.e. reflections for which no measurement appears in the input MULTIREF. Turning this Boolean on specifies that no such missing-reflection list is to be output.
-b<val>
Specifies the number of resolution bins into which the
data will be divided for calculations of completeness and redundancy and for the Rmerge calculations. The default value is 10 for datasets more than 27000 observations; it ranges between 4 and 9 for smaller datasets.
<rescut>
specifies the high-resolution cutoff in Angstroms, above
which reflections will not be output. Default: no restriction.
 

REPORTING BUGS

Report bugs to Andy Howard at howard@iit.edu or 312-567-5881.  

COPYRIGHT

Copyright © 2002, Illinois Institute of Technology. See the file 'LICENSE' for information on usage and redistribution of this file, and for a DISCLAIMER OF ALL WARRANTIES


 

Index

NAME
SYNOPSIS
DESCRIPTION
REPORTING BUGS
COPYRIGHT

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Time: 02:08:09 GMT, October 03, 2005