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33 #define MTZVERSN "MTZ:V1.1"
34 #define MTZ_MAJOR_VERSN 1
35 #define MTZ_MINOR_VERSN 1
36 #define CCP4_MTZDATA 20100630
41 #define MTZRECORDLENGTH 80
42 #define MAXSPGNAMELENGTH 20
44 #define NBATCHWORDS 185
45 #define NBATCHINTEGERS 29
46 #define NBATCHREALS 156
50 #define MCOLUMNS 10000
53 typedef struct { char label[31];
151 float sym[192][4][4];
163 typedef union {
char amnf[4];
float bbfac
Definition: mtzdata.h:123
void ccp4_fatal(const char *)
Definition: library_err.c:235
float e3[3]
Definition: mtzdata.h:131
float dx[2]
Definition: mtzdata.h:140
float phirange
Definition: mtzdata.h:126
void ccp4_utils_bml(int ncols, union float_uint_uchar cols[])
Definition: library_utils.c:254
int nref_filein
Definition: mtzdata.h:176
Definition: library_file.h:40
void ccp4_utils_hgetlimits(int *IValueNotDet, float *ValueNotDet)
Definition: library_utils.c:278
char * ccp4_utils_joinfilenames(char *dir, char *file)
Definition: library_utils.c:554
char * xml
Definition: mtzdata.h:186
int ccp4_utils_translate_mode_float(float *out, const void *buffer, int dim, int mode)
Definition: library_utils.c:71
char * hist
Definition: mtzdata.h:171
MTZXTAL ** xtal
Definition: mtzdata.h:183
float time1
Definition: mtzdata.h:120
float delamb
Definition: mtzdata.h:136
int ngonax
Definition: mtzdata.h:103
int ccp4_utils_isnan(const union float_uint_uchar *realnum)
Definition: library_utils.c:235
float theta[2]
Definition: mtzdata.h:141
size_t ccp4_utils_flength(char *s, int len)
Definition: library_utils.c:119
int nxtal
Definition: mtzdata.h:173
char * ccp4_utils_basename(const char *filename)
Definition: library_utils.c:472
#define MAXSPGNAMELENGTH
Definition: mtzdata.h:42
int num
Definition: mtzdata.h:86
char * ccp4_utils_time(char *time)
Definition: library_utils.c:627
float ccp4_utils_etime(float tarray[2])
Definition: library_utils.c:643
float32 f
Definition: ccp4_types.h:45
int spcgrp
Definition: mtzdata.h:148
void ccp4_utils_itime(int iarray[3])
Definition: library_utils.c:612
char * ccp4_utils_username(void)
Definition: library_utils.c:449
float resmax
Definition: mtzdata.h:80
int nbsetid
Definition: mtzdata.h:109
MTZBAT * batch
Definition: mtzdata.h:184
float datum[3]
Definition: mtzdata.h:116
int setid
Definition: mtzdata.h:67
uint32 i
Definition: ccp4_types.h:46
CCP4File * fileout
Definition: mtzdata.h:169
int nref
Definition: mtzdata.h:175
int ncol_read
Definition: mtzdata.h:174
MTZCOL ** col
Definition: mtzdata.h:71
int lcrflg
Definition: mtzdata.h:96
float delcor
Definition: mtzdata.h:137
MTZSET ** set
Definition: mtzdata.h:82
float e1[3]
Definition: mtzdata.h:127
int nsymp
Definition: mtzdata.h:153
int refs_in_memory
Definition: mtzdata.h:177
int ncol
Definition: mtzdata.h:70
float alambd
Definition: mtzdata.h:135
float detlm[2][2][2]
Definition: mtzdata.h:142
CCP4File * filein
Definition: mtzdata.h:168
float divhd
Definition: mtzdata.h:138
int jumpax
Definition: mtzdata.h:93
MNF mnf
Definition: mtzdata.h:181
void ccp4_utils_idate(int iarray[3])
Definition: library_utils.c:581
char symtyp
Definition: mtzdata.h:154
int ccp4_utils_noinpbuf(void)
Definition: library_utils.c:200
union float_uint_uchar ccp4_nan()
Definition: library_utils.c:208
int nsym
Definition: mtzdata.h:150
void ccp4_utils_print(const char *message)
Definition: library_utils.c:129
char * unknown_headers
Definition: mtzdata.h:187
void * ccp4_utils_calloc(size_t nelem, size_t elsize)
Definition: library_utils.c:430
char * ccp4_utils_extension(const char *filename)
Definition: library_utils.c:526
Definition: mtzdata.h:168
int jsaxs
Definition: mtzdata.h:100
System-dependent definitions.
float phiend
Definition: mtzdata.h:118
Definition: mtzdata.h:148
float cell[6]
Definition: mtzdata.h:110
int misflg
Definition: mtzdata.h:92
char * ccp4_utils_pathname(const char *filename)
Definition: library_utils.c:503
float sdbfac
Definition: mtzdata.h:125
int ccp4_utils_chmod(const char *path, const char *cmode)
Definition: library_utils.c:352
SYMGRP mtzsymm
Definition: mtzdata.h:182
int n_orig_bat
Definition: mtzdata.h:178
int ndet
Definition: mtzdata.h:107
int ncryst
Definition: mtzdata.h:95
int ldtype
Definition: mtzdata.h:98
float phixyz[2][3]
Definition: mtzdata.h:113
char spg_confidence
Definition: mtzdata.h:156
float divvd
Definition: mtzdata.h:139
Common data structure for floats, ints, and chars.
Definition: ccp4_types.h:44
void * ccp4_utils_malloc(size_t size)
Definition: library_utils.c:401
float source[3]
Definition: mtzdata.h:133
char * ccp4_utils_date(char *date)
Definition: library_utils.c:597
float umat[9]
Definition: mtzdata.h:111
char title[71]
Definition: mtzdata.h:87
char gonlab[3][9]
Definition: mtzdata.h:88
float time2
Definition: mtzdata.h:121
void * ccp4_utils_realloc(void *ptr, size_t size)
Definition: library_utils.c:416
float resmax_out
Definition: mtzdata.h:179
int lbcell[6]
Definition: mtzdata.h:91
float phistt
Definition: mtzdata.h:117
int xtalid
Definition: mtzdata.h:75
Header file for error handling routines Error codes based on system errors.
int histlines
Definition: mtzdata.h:172
float bscale
Definition: mtzdata.h:122
float sdbscale
Definition: mtzdata.h:124
float crydat[12]
Definition: mtzdata.h:115
float resmin_out
Definition: mtzdata.h:180
float e2[3]
Definition: mtzdata.h:129
int ccp4_utils_outbuf(void)
Definition: library_utils.c:178
int ccp4_errno
Definition: library_err.c:33
float so[3]
Definition: mtzdata.h:134
int nset
Definition: mtzdata.h:81
int iortyp
Definition: mtzdata.h:89
struct bathead * next
Definition: mtzdata.h:144
int nbscal
Definition: mtzdata.h:101
int ccp4_utils_mkdir(const char *path, const char *cmode)
Definition: library_utils.c:288
int n_unknown_headers
Definition: mtzdata.h:188
float wavelength
Definition: mtzdata.h:69
float resmin
Definition: mtzdata.h:79
Definition: mtzdata.h:163
int lbmflg
Definition: mtzdata.h:104
float scanax[3]
Definition: mtzdata.h:119
int ccp4_utils_setenv(char *str)
Definition: library_utils.c:138