Routines to read and write HKL reflection files. More...

#include "rwHKL.h"
#include "Complex.h"
#include "linked_list.h"
#include "utilities.h"
#include <fstream>

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...

Variables
int	verbose

Detailed Description

Routines to read and write HKL reflection files.

Author: Bernard Heymann

Date: Created: 19981229; Modified: 20120211

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).

Variable Documentation

◆ verbose

int verbose

extern