Age | Commit message (Collapse) | Author | |
---|---|---|---|
2013-10-11 | partialator: Initialise n_filt to zero | Thomas White | |
2013-10-11 | partialator: Exclude weak reflections from refinement | Thomas White | |
2013-10-11 | partial_sim: Show overall numbers | Thomas White | |
2013-10-10 | indexamajig: Add --temp-dir | Thomas White | |
2013-10-08 | Read scalar values from HDF5 files as 0d arrays | Thomas White | |
Historically, scalar values have been represented in our data files as 1d arrays with size=1. Now they are (more correctly) written as 0d arrays. This change allows CrystFEL to read both. | |||
2013-09-20 | partial_sim: Fix racy locking | Thomas White | |
2013-09-19 | hdfsee: Use beam parameters file (--beam option) | Thomas White | |
2013-09-13 | Stop PR when mean change in partiality is small | Thomas White | |
2013-09-13 | Debugging/verbosity tweaks | Thomas White | |
2013-09-13 | partialator: Debugging stuff | Thomas White | |
2013-09-13 | partialator: Use read/write lock | Thomas White | |
2013-09-13 | partial_sim: Use read/write lock | Thomas White | |
2013-09-13 | Add INDEXING_SIMULATION for streams made by partial_sim | Thomas White | |
2013-09-04 | hdfsee: Add accelerators for "Show features" and "Resolution rings" | Thomas White | |
2013-08-26 | Fix previous commit | Thomas White | |
2013-08-26 | Display indexing yield as a percentage | Thomas White | |
2013-08-20 | process_hkl: Fix --histogram | Thomas White | |
List of values now expands as necessary Values are no longer double counted when using --scale | |||
2013-08-20 | get_hkl: Add --cutoff-angstroms | Thomas White | |
2013-08-12 | Improve show_matrix_eqn() | Thomas White | |
2013-08-08 | render_hkl: Fix it once and for all | Thomas White | |
2013-08-01 | Count filtered eigenvalues | Thomas White | |
2013-08-01 | Use a struct to contain information for scaling report | Thomas White | |
2013-08-01 | Count filtered eigenvalues | Thomas White | |
2013-08-01 | Fix Lorentz gradient | Thomas White | |
2013-08-01 | Add test for gradient of Lorentz factor (as well as partiality) | Thomas White | |
2013-08-01 | Fix previous commit | Thomas White | |
2013-07-31 | Flag crystals as "not refined" if SVD fails | Thomas White | |
2013-07-31 | Refine divergence as well | Thomas White | |
2013-07-31 | Rescale the normal equations before attempting to solve | Thomas White | |
This makes the equations insensitive to the units of the parameters being refined, e.g. divergence is measured in radians whereas cell parameters are measured in m^-1, so their magnitudes are very different. | |||
2013-07-31 | Use the correct reference list for selection | Thomas White | |
2013-07-31 | Tweak rejection criteria | Thomas White | |
2013-07-31 | Count reflections gained and lost during initial partiality calculation | Thomas White | |
2013-07-31 | Count number of "dud" crystals each iteration, not just at the end | Thomas White | |
2013-07-31 | Tweak error path | Thomas White | |
2013-07-31 | Require scaling convergence to 5%, not 1% | Thomas White | |
2013-07-31 | Revert refinement step if too many reflections are lost | Thomas White | |
2013-07-31 | partialator: New convergence criterion for scaling | Thomas White | |
Instead of stopping iteration when the absolute value of any scaling factor changes by more than a certain (small) amount, calculate the ratios of the scaling factors to their previous values, and stop when no scaling factor changes by more than 1% compared to the mean ratio. This method is robust against "drifting" of the scale factors when the partiality estimates are poor. | |||
2013-07-31 | hdfsee: Show simple rings even if not using detector geometry | Thomas White | |
2013-07-26 | partialator: Use Lorentz factor in partiality histograms | Thomas White | |
2013-07-25 | Tweak comments | Thomas White | |
2013-07-25 | partialator: Account for Lorentz factor | Thomas White | |
2013-07-25 | partialator: Simplify scaling | Thomas White | |
2013-07-22 | compare_hkl: Fix typo | Thomas White | |
2013-07-04 | Tidy up unused variables | Thomas White | |
2013-07-04 | process_hkl: Fix sigma calculation (again) | Thomas White | |
Bessel's correction isn't needed here. Or, at least it hasn't been used in the past. | |||
2013-06-30 | compare_hkl: Tidy up and fix CRDano | Thomas White | |
2013-06-29 | compare_hkl: For 'CRDano', use known mean of zero | Thomas White | |
2013-06-29 | Added rms correlation ratio to compare_hkl (CRDano) | Lorenzo Galli | |
2013-06-29 | partialator: Initialise mosaicity | Thomas White | |
2013-06-28 | partial_sim: Initialise crystal mosaicity, num peaks and num saturated peaks | Thomas White | |