gpp4  1.3.1
Public Attributes
bathead Struct Reference

#include <mtzdata.h>

List of all members.

Public Attributes

int num
char title [71]
char gonlab [3][9]
int iortyp
int lbcell [6]
int misflg
int jumpax
int ncryst
int lcrflg
int ldtype
int jsaxs
int nbscal
int ngonax
int lbmflg
int ndet
int nbsetid
float cell [6]
float umat [9]
float phixyz [2][3]
float crydat [12]
float datum [3]
float phistt
float phiend
float scanax [3]
float time1
float time2
float bscale
float bbfac
float sdbscale
float sdbfac
float phirange
float e1 [3]
float e2 [3]
float e3 [3]
float source [3]
float so [3]
float alambd
float delamb
float delcor
float divhd
float divvd
float dx [2]
float theta [2]
float detlm [2][2][2]
struct batheadnext

Detailed Description

MTZ batch struct.


Member Data Documentation

float bathead::alambd

wavelength (A)

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::bbfac

batch temperature factor

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::bscale

batch scale

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::cell[6]

cell dimensions

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::crydat[12]
float bathead::datum[3]

datum values of goniostat axes

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::delamb

dispersion (deltalambda / lambda)

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::delcor

correlated component

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::detlm[2][2][2]

min & max values of detector coords (pixels)

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::divhd

horizontal beam divergence

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::divvd

vertical beam divergence

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::dx[2]

xtal to detector distance

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::e1[3]

vector 1 ("Cambridge" laboratory axes) defining ngonax goniostat axes

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::e2[3]

vector 2 ("Cambridge" laboratory axes) defining ngonax goniostat axes

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::e3[3]

vector 3 ("Cambridge" laboratory axes) defining ngonax goniostat axes

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

char bathead::gonlab[3][9]

names of the three axes

Referenced by ccp4_lrbat(), ccp4_lwbat(), MtzGetUserCellTolerance(), MtzPrintBatchHeader(), and MtzPut().

int bathead::iortyp

type of orientation block (for possible future use, now = 0)

Referenced by MtzArrayToBatch(), and MtzBatchToArray().

int bathead::jsaxs

goniostat scan axis number

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

int bathead::jumpax

reciprocal axis closest to rotation axis

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

int bathead::lbcell[6]

refinement flags for cell

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

int bathead::lbmflg

flag for type of beam info: = 0 for alambd, delamb = 1 also delcor, divhd, divvd

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

int bathead::lcrflg

mosaicity model: 0 = isotropic, 1 = anisotropic

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

int bathead::ldtype

type of data: 2D (1), 3D (2), or Laue (3)

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

int bathead::misflg

number of phixyz used (0, 1, or 2)

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

int bathead::nbscal

number of batch scales & Bfactors (0 if unset)

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

int bathead::nbsetid

dataset id - should be pointer?

Referenced by MtzArrayToBatch(), MtzBatchToArray(), MtzNbatchesInSet(), and MtzPrintBatchHeader().

int bathead::ncryst

crystal number

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

int bathead::ndet

number of detectors (current maximum 2)

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

struct bathead* bathead::next
int bathead::ngonax

number of goniostat axes

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

int bathead::num
float bathead::phiend

end of phi relative to datum

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::phirange
float bathead::phistt

start of phi relative to datum

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::phixyz[2][3]

missetting angles at beginning and end of oscillation

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::scanax[3]

rotation axis in lab frame

Referenced by MtzArrayToBatch(), and MtzBatchToArray().

float bathead::sdbfac
float bathead::sdbscale
float bathead::so[3]

source vector

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::source[3]

idealised source vector

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::theta[2]

detector tilt angle

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().

float bathead::time1
float bathead::time2
char bathead::title[71]
float bathead::umat[9]

orientation matrix U in Fortranic order, i.e. U(1,1), U(2,1) ...

Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().


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