#include <mtzdata.h>

Public Attributes
CCP4File *	filein

CCP4File *	fileout

char	title [71]

char *	hist

int	histlines

int	nxtal

int	ncol_read

int	nref

int	nref_filein

int	refs_in_memory

int	n_orig_bat

float	resmax_out

float	resmin_out

MNF	mnf

SYMGRP	mtzsymm

MTZXTAL **	xtal

MTZBAT *	batch

MTZCOL *	order [5]

char *	xml

char *	unknown_headers

int	n_unknown_headers

Detailed Description

Top level of MTZ struct.

Member Data Documentation

◆ batch

MTZBAT* MTZ::batch

first batch header

Referenced by ccp4_lrbats(), ccp4_lwbat(), MtzFree(), MtzNbat(), and MtzNbatchesInSet().

◆ filein

CCP4File* MTZ::filein

file for reading

Referenced by MtzDebugHierarchy(), MtzFree(), and MtzRewdInput().

◆ fileout

CCP4File* MTZ::fileout

file for writing

Referenced by MtzDebugHierarchy(), and MtzFree().

◆ hist

char* MTZ::hist

history of mtz file

Referenced by ccp4_lhprt(), ccp4_lrhist(), MtzAddHistory(), and MtzFree().

◆ histlines

int MTZ::histlines

number of lines in hist

Referenced by ccp4_lhprt(), ccp4_lrhist(), and MtzAddHistory().

◆ mnf

MNF MTZ::mnf

value of missing number flag

Referenced by ccp4_ismnf(), and ccp4_lhprt().

◆ mtzsymm

SYMGRP MTZ::mtzsymm

symmetry information

Referenced by ccp4_lhprt(), ccp4_lrsymi_c(), ccp4_lrsymm(), ccp4_lwsymconf(), ccp4_lwsymm_c(), and MtzSpacegroupNumber().

◆ n_orig_bat

int MTZ::n_orig_bat

original number of batches

Referenced by ccp4_lhprt(), ccp4_lrbats(), ccp4_lwbat(), and MtzNbatchesInSet().

◆ n_unknown_headers

int MTZ::n_unknown_headers

unknown header data

◆ ncol_read

int MTZ::ncol_read

number of columns from file

◆ nref

int MTZ::nref

total number of reflections

Referenced by ccp4_lhprt(), MtzAddColumn(), MtzDeleteRefl(), and MtzNref().

◆ nref_filein

int MTZ::nref_filein

number of reflections from input file

◆ nxtal

int MTZ::nxtal

number of crystals

Referenced by ccp4_lhprt(), ccp4_lrsort(), MtzAssignHKLtoBase(), MtzColLookup(), MtzColSet(), MtzDebugHierarchy(), MtzDeleteRefl(), MtzFindInd(), MtzFree(), MtzListColumn(), MtzListInputColumn(), MtzNcol(), MtzNset(), MtzNumActiveCol(), MtzNumActiveSet(), MtzNumActiveXtal(), MtzNumSourceCol(), MtzNxtal(), MtzResLimits(), MtzSetLookup(), MtzSetXtal(), and MtzXtalLookup().

◆ order

MTZCOL* MTZ::order[5]

sort order

Referenced by ccp4_lrsort(), and MtzSetSortOrder().

◆ refs_in_memory

int MTZ::refs_in_memory

whether reflections are held in memory

Referenced by MtzAddColumn(), and MtzDeleteRefl().

◆ resmax_out

float MTZ::resmax_out

output file max res

Referenced by ccp4_lhprt().

◆ resmin_out

float MTZ::resmin_out

output file min res

Referenced by ccp4_lhprt().

◆ title

char MTZ::title[71]

title of mtz structure

Referenced by ccp4_lhprt(), ccp4_lrtitl(), and ccp4_lwtitl().

◆ unknown_headers

char* MTZ::unknown_headers