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scalepackcvt - produces an ASCII output file in SHELX or XPLOR format from an input file generated by program scalepack from the HKL-suite.


scalepackcvt [options] i/p-file [o/p-file]


scalepackcvt [ -h ] [ -xplor ] [ -ixplor ] [ -shelx ] [ -s SCALE ] [ -c CUTOFF ] i/p-file [ o/p-file ]


scalepackcvt converts output from the scalepack scaling program into an ASCII-file suitable for input to programs SHELX and XPLOR. The program scalepackcvt automatically recognizes the format of the output-file generated by scalepack (produced by keywords merge/no merge include [no] partials/no merge original index).

When using XPLOR output format, intensities are truncated to structure factors by simply taking the square root of intensities and their sigmas. If an intensity is negative it is truncated to zero. Reflexions with negative sigmas are rejected.


Displays usage information.
The output file will be in XPLOR format with intensities truncated to structure factors. This is the default.
The output file will be in XPLOR format. Intensities are not truncated.
The output file will be in SHELX format. Intensities are not truncated.
Sigma cutoff: all reflexions with I/Sigma < cutoff are rejected. The defaults is no cutoff.
Scale factor on all data on output. To stay within the allowed limits of the corresponding output format the program may decide to reduce the requested scale factor automatically. The default is: 1.0.
The name of the input file in scalepack format
The name of the output file. If the o/p-file name has not been given, the default is to use the name of the input-file extended by the format specifier: .xplor, .ixplor or .shelx

Input Files

scalepackcvt requires input files from program scalepack from the HKL suite.

Output Files

The program produces an ASCII-file in SHELX or XPLOR format.


scalepackcvt -xplor -s 1.0 -c 3.0 lyso.hkl lyso.fobs

See Also

marHKL, scalepack2mtz


Claudio Klein, marXperts GmbH, Norderstedt,



© Copyright 1997-2003 marXperts GmbH, Norderstedt, Germany


marXperts GmbHPhone: +49 - (40) - 529 884-0
Werkstr. 3 FAX: +49 - (40) - 529 884-20
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