2,684
edits
Xscale: Difference between revisions
Jump to navigation
Jump to search
m
→Simple usage
m (→Simple usage) |
|||
| Line 1: | Line 1: | ||
== Simple usage == | == Simple and advanced usage == | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xscale_parameters.html XSCALE] ist the scaling program of the XDS suite. At the XDS website, there is a short and a long commented example of [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/INPUT_templates/XSCALE.INP XSCALE.INP] | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xscale_parameters.html XSCALE] ist the scaling program of the XDS suite. At the XDS website, there is a short and a long commented example of [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/INPUT_templates/XSCALE.INP XSCALE.INP] | ||
| Line 6: | Line 6: | ||
A minimal input file to combine two datasets into one file is: | A minimal input file to combine two datasets into one file is: | ||
OUTPUT_FILE=fae- | OUTPUT_FILE=fae-native.ahkl | ||
INPUT_FILE= ../fae- | INPUT_FILE= ../fae-native/xds_1/XDS_ASCII.HKL | ||
INPUT_FILE= ../fae-native/xds_2/XDS_ASCII.HKL | |||
Several output files can be specified (together with their set of input files) in a single run of XSCALE, simply by concatenation of sections like the above. All output files are then on the same scale - a program feature recommended for MAD data sets: | |||
OUTPUT_FILE=fae-rh.ahkl | |||
INPUT_FILE= ../fae-rh/xds_1/XDS_ASCII.HKL | |||
FRIEDEL'S_LAW=FALSE | |||
STRICT_ABSORPTION_CORRECTION=TRUE ! see XDSwiki:Tips_and_Tricks | |||
INPUT_FILE= ../fae-rh/xds_2/XDS_ASCII.HKL | |||
FRIEDEL'S_LAW=FALSE | |||
STRICT_ABSORPTION_CORRECTION=TRUE | |||
OUTPUT_FILE=fae-ip.ahkl | |||
INPUT_FILE= ../fae-ip/xds_2/XDS_ASCII.HKL | INPUT_FILE= ../fae-ip/xds_2/XDS_ASCII.HKL | ||
FRIEDEL'S_LAW=FALSE | |||
STRICT_ABSORPTION_CORRECTION=TRUE | |||
INPUT_FILE= ../fae-ip/xds_2/XDS_ASCII.HKL | |||
FRIEDEL'S_LAW=FALSE | |||
STRICT_ABSORPTION_CORRECTION=TRUE | |||
== Further keywords == | == Further keywords == | ||