gpp4  1.3.1
Public Attributes | List of all members
bathead Struct Reference

#include <mtzdata.h>

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

◆ alambd

float bathead::alambd

wavelength (A)

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

◆ bbfac

float bathead::bbfac

batch temperature factor

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

◆ bscale

float bathead::bscale

batch scale

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

◆ cell

float bathead::cell[6]

cell dimensions

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

◆ crydat

float bathead::crydat[12]

◆ datum

float bathead::datum[3]

datum values of goniostat axes

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

◆ delamb

float bathead::delamb

dispersion (deltalambda / lambda)

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

◆ delcor

float bathead::delcor

correlated component

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

◆ detlm

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

min & max values of detector coords (pixels)

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

◆ divhd

float bathead::divhd

horizontal beam divergence

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

◆ divvd

float bathead::divvd

vertical beam divergence

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

◆ dx

float bathead::dx[2]

xtal to detector distance

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

◆ e1

float bathead::e1[3]

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

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

◆ e2

float bathead::e2[3]

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

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

◆ e3

float bathead::e3[3]

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

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

◆ gonlab

char bathead::gonlab[3][9]

names of the three axes

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

◆ iortyp

int bathead::iortyp

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

Referenced by MtzArrayToBatch(), and MtzBatchToArray().

◆ jsaxs

int bathead::jsaxs

goniostat scan axis number

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

◆ jumpax

int bathead::jumpax

reciprocal axis closest to rotation axis

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

◆ lbcell

int bathead::lbcell[6]

refinement flags for cell

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

◆ lbmflg

int bathead::lbmflg

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

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

◆ lcrflg

int bathead::lcrflg

mosaicity model: 0 = isotropic, 1 = anisotropic

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

◆ ldtype

int bathead::ldtype

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

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

◆ misflg

int bathead::misflg

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

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

◆ nbscal

int bathead::nbscal

number of batch scales & Bfactors (0 if unset)

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

◆ nbsetid

int bathead::nbsetid

dataset id - should be pointer?

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

◆ ncryst

int bathead::ncryst

crystal number

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

◆ ndet

int bathead::ndet

number of detectors (current maximum 2)

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

◆ next

struct bathead* bathead::next

◆ ngonax

int bathead::ngonax

number of goniostat axes

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

◆ num

int bathead::num

◆ phiend

float bathead::phiend

end of phi relative to datum

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

◆ phirange

float bathead::phirange

◆ phistt

float bathead::phistt

start of phi relative to datum

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

◆ phixyz

float bathead::phixyz[2][3]

missetting angles at beginning and end of oscillation

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

◆ scanax

float bathead::scanax[3]

rotation axis in lab frame

Referenced by MtzArrayToBatch(), and MtzBatchToArray().

◆ sdbfac

float bathead::sdbfac

◆ sdbscale

float bathead::sdbscale

◆ so

float bathead::so[3]

source vector

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

◆ source

float bathead::source[3]

idealised source vector

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

◆ theta

float bathead::theta[2]

detector tilt angle

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

◆ time1

float bathead::time1

◆ time2

float bathead::time2

◆ title

char bathead::title[71]

batch title

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

◆ umat

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: