#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 bathead * | next |
int bathead::num |
batch number
Referenced by ccp4_lrbat(), ccp4_lrbats(), ccp4_lwbat(), MtzGet(), MtzPrintBatchHeader(), MtzPut(), and sort_batches().
char bathead::title[71] |
batch title
Referenced by ccp4_lrbat(), ccp4_lwbat(), MtzGet(), MtzPrintBatchHeader(), and MtzPut().
char bathead::gonlab[3][9] |
names of the three axes
Referenced by ccp4_lrbat(), ccp4_lwbat(), MtzGet(), MtzPrintBatchHeader(), and MtzPut().
int bathead::iortyp |
type of orientation block (for possible future use, now = 0)
Referenced by MtzArrayToBatch(), and MtzBatchToArray().
int bathead::lbcell[6] |
refinement flags for cell
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::jumpax |
reciprocal axis closest to rotation axis
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
int bathead::ncryst |
crystal number
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::jsaxs |
goniostat scan axis number
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::ngonax |
number of goniostat axes
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::ndet |
number of detectors (current maximum 2)
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
int bathead::nbsetid |
dataset id - should be pointer?
Referenced by ccp4_lwbsetid(), MtzArrayToBatch(), MtzBatchToArray(), MtzNbatchesInSet(), and MtzPrintBatchHeader().
float bathead::cell[6] |
cell dimensions
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::umat[9] |
orientation matrix U in Fortranic order, i.e. U(1,1), U(2,1) ...
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::crydat[12] |
mosaicity
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::datum[3] |
datum values of goniostat axes
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::phistt |
start of phi relative to datum
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::phiend |
end of phi relative to datum
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::scanax[3] |
rotation axis in lab frame
Referenced by MtzArrayToBatch(), and MtzBatchToArray().
float bathead::time1 |
start time
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::time2 |
stop time
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::bscale |
batch scale
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::bbfac |
batch temperature factor
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::sdbscale |
sd bscale
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::sdbfac |
sd bbfac
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::phirange |
phi range
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().
float bathead::source[3] |
idealised source vector
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::so[3] |
source vector
Referenced by MtzArrayToBatch(), MtzBatchToArray(), and MtzPrintBatchHeader().
float bathead::alambd |
wavelength (A)
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::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::theta[2] |
detector tilt angle
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().
struct bathead* bathead::next [read] |
next batch in list
Referenced by ccp4_lrbats(), ccp4_lwbat(), MtzFreeBatch(), MtzGet(), MtzMallocBatch(), MtzNbat(), MtzNbatchesInSet(), MtzPut(), and sort_batches().