mtzdata.h File Reference

Definition of MTZ data structure. More...

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Compounds

struct bathead

union MNF

struct MTZ

struct MTZCOL

struct MTZSET

struct MTZXTAL

struct SYMGRP

Defines

#define MTZVERSN   "MTZ:V1.1"

#define MTZ_MAJOR_VERSN   1

#define MTZ_MINOR_VERSN   1

#define SIZE1   20

#define MTZRECORDLENGTH   80

#define MAXSPGNAMELENGTH   20

#define NBATCHWORDS   185

#define NBATCHINTEGERS   29

#define NBATCHREALS   156

#define MXTALS   100

#define MSETS   1000

#define MCOLUMNS   10000

Typedefs

typedef bathead MTZBAT

Detailed Description

Definition of MTZ data structure.

The file defines a hierarchy of structs which hold the MTZ data structure.

#define MAXSPGNAMELENGTH 20

max length of a spacegroup name

#define MCOLUMNS 10000

maximum number of columns (for a few arrays - to be removed!)

#define MSETS 1000

maximum number of datasets (for a few arrays - to be removed!)

#define MTZ_MAJOR_VERSN 1

MTZ file major version - keep to single digit

#define MTZ_MINOR_VERSN 1

MTZ file minor version - keep to single digit

#define MTZRECORDLENGTH 80

length of records

#define MTZVERSN "MTZ:V1.1"

traditional version number!

#define MXTALS 100

maximum number of crystals (for a few arrays - to be removed!)

#define NBATCHINTEGERS 29

size of integer section of batch header buffer

#define NBATCHREALS 156

size of float section of batch header buffer

#define NBATCHWORDS 185

total size of batch header buffer

#define SIZE1 20

size of pre-reflection block

typedef struct bathead MTZBAT

MTZ batch struct.