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path: root/libcrystfel/src/geometry.c
AgeCommit message (Collapse)Author
2019-11-05bug fix in Ewald sphere width calculationYaroslav Gevorkov
2019-10-24polarisation_correction: Use symmetric indicesThomas White
2019-10-24polarisation_correction: Scale the sigma as wellThomas White
2019-09-12Fix sign of zl comparisonThomas White
2019-09-12Fix possibly uninitialised overlap_integralThomas White
Introduced by b6af09d78d49d552a05b81bd20a7854a180373f5
2019-09-05Allow the polarsation correction to be completely disabledThomas White
2019-09-02Don't need separate wavelength for polarisation correctionThomas White
Can use kpred
2019-09-02process_hkl,partialator: Allow arbitrary direction and degree of polarisationThomas White
2019-08-26Formatting/fussinessThomas White
2019-08-26loop prediction for gaussian sum spectrumWolfgang Brehm
2019-07-17partialator: Add "offset" model (Ewald sphere offset assuming monochromatic ↵Thomas White
beam)
2019-07-17partialator: Use Spectrum APIThomas White
2019-05-07Update all source code comments to Doxygen formatThomas White
2018-02-27Replace debugging code with an assert()Thomas White
2018-02-27Halve the bandwidthThomas White
2018-02-27Take modulus of profile radiusThomas White
A bit nasty, but avoids lots of NANs
2018-02-27Set integral range to +/- 3 sigmaThomas White
2018-02-27Add an assertionThomas White
2018-02-27do_integral(): Take part of the filename as input for debugThomas White
2018-02-27Horrible restraint to keep algorithm from drifting too farThomas White
2018-02-27Minimisation fixesThomas White
2018-02-27Minimisation debug stuffThomas White
2018-02-27Remove old code (and formatting)Thomas White
2018-02-27New clamping criteriaThomas White
2018-02-27Record khalf for reflectionsThomas White
2018-02-27New partiality model from Ginn et al.Thomas White
2018-02-27Separate partiality calculation from predictionThomas White
2016-12-09New polarisation correctionThomas White
2016-11-10Fix 2theta calculation in locate_peak_on_panel()Thomas White
The "improved" version of this, added by 9b1374999 along with the new spot position calculation for out-of-plane panels, actually assumes that the reflection is at the exact Bragg condition. This is not a valid assumption here. The difference is small (<0.5 px), but made the prediction refinement gradients completely wrong.
2016-07-29Use z components in predictionThomas White
2016-07-01No more slab-relative coordinates in libcrystfelThomas White
2016-02-29Don't predict 000Thomas White
2015-08-14Improve random partiality modelThomas White
2015-07-21Add random partiality modelThomas White
2015-07-21Update API docsThomas White
2015-07-17partialator: Detect (in a terminal fashion) NAN partialitiesThomas White
2015-07-08Move {x,y}_gradient to geometry.hThomas White
2015-05-19Don't attempt to calculate detector position without detector structureThomas White
... even if we are updating a previous reflection
2015-04-20Add GPARAM_DETX, GPARAM_DETY and GPARAM_CLENThomas White
2015-04-20FussinessThomas White
2015-04-20Factorise dr/da part of gradient calculation for PR and predictionThomas White
2015-04-20Make panel assignments invariant during prediction- and post-refinementThomas White
Reflections appearing and disappearing are problematic when trying to do a least-squares refinement. Therefore, assume that reflections stay on panel and keep them under consideration even if their partialities go to zero (i.e. they drift off Bragg). This should stabilise both refinements, and simplifies quite a lot of code. Collateral "damage": the old "select_intersection()" is now gone.
2014-11-28Check for rlow<rhigh only if reflection is excited and hits detectorThomas White
2014-11-26Add find_intersections_to_res()Thomas White
2014-10-23Increase verbosityThomas White
2014-10-14Final gradients for SCGaussianThomas White
2014-10-06WIP on SCGaussian gradientsThomas White
2014-09-30Cell vector gradients for SCSphere, plus general rationalisationThomas White
2014-09-25WIP on predictionThomas White
2014-09-25Remove "sphere", "thin" and "gaussian" partiality models, add "scgaussian"Thomas White
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