rwHKL.h File Reference

Header file for reading and writing HKL reflection files as images. More...

#include "rwimg.h"

Functions
int	readHKL (Bimage *p, int readdata)
	Reading a HKL structure factor file format. This function reads a HKL file typically produced with MTZDUMP from X-ray crystallographic structure factor files in the CCP4 package. The first line as a space-delimited list of headers for the columns. All subsequent lines are rows containing the indices and data. Column headers: H K L indices. AMP amplitudes. SIGAMP amplitude deviations. PHI phases. SIGPHI phase deviations. FOM figure-of-merit values. FREE flag for R-free calculations. More...
int	writeHKL (Bimage *p)
	Writing a HKL structure factor file format. This function writes a HKL structure factor file. More...

Detailed Description

Header file for reading and writing HKL reflection files as images.

Author

Bernard Heymann

Date

Created: 19981229

Modified: 20000708

Format: 3D generic structure factor file format

Function Documentation

readHKL()

int readHKL	(	Bimage *	p,
		int	readdata
	)

Reading a HKL structure factor file format. This function reads a HKL file typically produced with MTZDUMP from X-ray crystallographic structure factor files in the CCP4 package. The first line as a space-delimited list of headers for the columns. All subsequent lines are rows containing the indices and data. Column headers: H K L indices. AMP amplitudes. SIGAMP amplitude deviations. PHI phases. SIGPHI phase deviations. FOM figure-of-merit values. FREE flag for R-free calculations.

Parameters

*p	the image structure.
readdata	flag to activate reading of image data.

Returns

int error code (<0 means failure).

writeHKL()

int writeHKL

(

Bimage *

p

)

Writing a HKL structure factor file format. This function writes a HKL structure factor file.

Parameters

*p	the image structure.

Returns

int error code (<0 means failure).