Man page of X-GEN
Section: X-GEN Commands (1)
Updated: April 2005
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X-GEN - mukb
[-diop] [-rval] [-sval] [lowrescut] [highrescut]
"mukb" reads one or more MULISTS, i.e. the output from one
or more runs of "makemu", and determines a scale factor, a
relative Debye-Waller factor, and various R-factors between
the first MULIST and any of the others. The user may output
various merged ASCII files out of this program, including some
suitable for input into various Fourier analysis packages.
Invoking "mukb" with exactly one MULIST as input causes it to
compare the Friedel mates within that one MULIST rather than
comparing data from different MULISTs. This functionality is
now bound up in "makemu" and "scalem", but it is available in
this application on a stand-alone basis.
This specifies that "mukb" is to write out an
list of the scaled reflections in the "ASCII DORGBIN"
format developed in England in the early-1970's. This
format can be converted to binary and used in Tom
Terwilliger's HEAVY and HASSP packages, among others.
This specifies that "mukb" is to calculate its R-factors
having forced the k and B scaling parameters to 1 and 0,
respectively. Thus it is equivalent to calculating R-factors
between datasets that have not been scaled relative to one
another at all.
This specifies that *mukb* is to write out an output MULIST
in which the usual MULIST columns are occupied by the scaled F's
or I's for the derivative. Thus if the scale factor between native
and derivative is 1.2 and the relative B is 4, then the output
relative MULIST will the F's of the derivative data multiplied
by 1.2 * exp(4. * s * s) where s = sin(theta) / lambda.
This specifies that "mukb" is to write out an ASCII list of
the scaled reflections in a very simple format:
h k l DF 0. where
DF = (Fder - Fnat) * (Fder - Fnat).
The output will be written to a file with environment
Switches: r, s
Declare the spacegroup to be <val>, using the
International Tables numbering system.
Ordinarily "mukb" computes unweighted and weighted R
factors between the native and each derivative for all data and
for data for which each F is greater than 4 sigma. Specifying a
value here changes the criterion for inclusion in the second set
of R factors from 4*sigma to <val>*sigma, where <val> is the
number you specify here. Default: 4.
This specifies the low-resolution cutoff in Angstroms,
below which reflections will not be considered in statistics or
output. Default value: none--this parameter must be supplied.
<highrescut> This specifies the high-resolution cutoff in
Angstroms, above which reflections will not be considered in
statistics or output. Default value: none--this parameter
_must_ be supplied.
Report bugs to Andy Howard at firstname.lastname@example.org or 312-567-5881.
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
- REPORTING BUGS
This document was created by
using the manual pages.
Time: 02:08:09 GMT, October 03, 2005