MTZ Struct Reference

#include <mtzdata.h>

List of all members.

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

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Detailed Description

Top level of MTZ struct.

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Member Data Documentation

MTZBAT* MTZ::batch

first batch header

Referenced by ccp4_lrbats(), ccp4_lwbat(), FORTRAN_SUBR(), MtzFree(), MtzGetUserCellTolerance(), MtzMalloc(), MtzNbat(), MtzNbatchesInSet(), and MtzPut().

CCP4File* MTZ::filein

file for reading

Referenced by ccp4_lrreff(), ccp4_lrrefl(), MtzDebugHierarchy(), MtzFree(), MtzGetUserCellTolerance(), MtzMalloc(), and MtzRewdInput().

CCP4File* MTZ::fileout

file for writing

Referenced by ccp4_lwrefl(), MtzDebugHierarchy(), MtzFree(), MtzMalloc(), and MtzPut().

char* MTZ::hist

history of mtz file

Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrhist(), MtzAddHistory(), MtzFree(), MtzGetUserCellTolerance(), MtzMalloc(), and MtzPut().

int MTZ::histlines

number of lines in hist

Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrhist(), MtzAddHistory(), MtzGetUserCellTolerance(), MtzMalloc(), and MtzPut().

MNF MTZ::mnf

value of missing number flag

Referenced by ccp4_ismnf(), ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrreff(), FORTRAN_SUBR(), MtzAddColumn(), MtzGetUserCellTolerance(), MtzMalloc(), and MtzPut().

SYMGRP MTZ::mtzsymm

symmetry information

Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrsymi_c(), ccp4_lrsymm(), ccp4_lwsymconf(), ccp4_lwsymm_c(), FORTRAN_SUBR(), MtzGetUserCellTolerance(), MtzMalloc(), MtzPut(), and MtzSpacegroupNumber().

int MTZ::n_orig_bat

original number of batches

Referenced by ccp4_lhprt(), ccp4_lrbats(), ccp4_lwbat(), FORTRAN_SUBR(), MtzGetUserCellTolerance(), MtzMalloc(), MtzNbatchesInSet(), and MtzPut().

int MTZ::n_unknown_headers

unknown header data

Referenced by MtzGetUserCellTolerance(), MtzMalloc(), and MtzPut().

int MTZ::ncol_read

number of columns from file

Referenced by ccp4_lrreff(), ccp4_lrrefl(), MtzGetUserCellTolerance(), and MtzMalloc().

int MTZ::nref

total number of reflections

Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lwrefl(), FORTRAN_SUBR(), MtzAddColumn(), MtzDeleteRefl(), MtzGetUserCellTolerance(), MtzMalloc(), MtzNref(), and MtzPut().

int MTZ::nref_filein

number of reflections from input file

Referenced by ccp4_lrreff(), ccp4_lrrefl(), MtzGetUserCellTolerance(), and MtzMalloc().

int MTZ::nxtal

number of crystals

Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrreff(), ccp4_lrrefl(), ccp4_lrsort(), ccp4_lwrefl(), FORTRAN_SUBR(), MtzAddDataset(), MtzAddXtal(), MtzAssignHKLtoBase(), MtzColLookup(), MtzColSet(), MtzDebugHierarchy(), MtzDeleteRefl(), MtzFindInd(), MtzFree(), MtzGetUserCellTolerance(), MtzListColumn(), MtzListInputColumn(), MtzMalloc(), MtzNcol(), MtzNset(), MtzNumActiveCol(), MtzNumActiveSet(), MtzNumActiveXtal(), MtzNumSourceCol(), MtzNxtal(), MtzPut(), MtzResLimits(), MtzSetLookup(), MtzSetXtal(), and MtzXtalLookup().

MTZCOL* MTZ::order[5]

sort order

Referenced by ccp4_lrsort(), MtzGetUserCellTolerance(), MtzMalloc(), and MtzSetSortOrder().

int MTZ::refs_in_memory

whether reflections are held in memory

Referenced by ccp4_lrreff(), ccp4_lrrefl(), ccp4_lwrefl(), FORTRAN_SUBR(), MtzAddColumn(), MtzDeleteRefl(), MtzGetUserCellTolerance(), MtzMalloc(), MtzMallocCol(), and MtzPut().

float MTZ::resmax_out

output file max res

Referenced by ccp4_lhprt(), ccp4_lwrefl(), MtzMalloc(), and MtzPut().

float MTZ::resmin_out

output file min res

Referenced by ccp4_lhprt(), ccp4_lwrefl(), MtzMalloc(), and MtzPut().

char MTZ::title[71]

title of mtz structure

Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrtitl(), ccp4_lwtitl(), MtzGetUserCellTolerance(), MtzMalloc(), and MtzPut().

char* MTZ::unknown_headers

unknown header data

Referenced by MtzFree(), MtzGetUserCellTolerance(), MtzMalloc(), and MtzPut().

char* MTZ::xml

xml data block

Referenced by MtzFree(), MtzGetUserCellTolerance(), MtzMalloc(), and MtzPut().

MTZXTAL** MTZ::xtal

crystals

Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrreff(), ccp4_lrrefl(), ccp4_lrsort(), ccp4_lwrefl(), FORTRAN_SUBR(), MtzAddDataset(), MtzAddXtal(), MtzAssignHKLtoBase(), MtzColLookup(), MtzColSet(), MtzDebugHierarchy(), MtzDeleteRefl(), MtzFindInd(), MtzFree(), MtzGetUserCellTolerance(), MtzIxtal(), MtzListColumn(), MtzListInputColumn(), MtzMalloc(), MtzNcol(), MtzNset(), MtzNumActiveCol(), MtzNumActiveSet(), MtzNumActiveXtal(), MtzNumSourceCol(), MtzPut(), MtzResLimits(), MtzSetLookup(), MtzSetXtal(), MtzXtalLookup(), and MtzXtals().

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The documentation for this struct was generated from the following file:

• src/mtzdata.h