diff options
| author | Thomas White <taw@physics.org> | 2018-02-27 13:42:42 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-02-27 17:12:41 +0100 |
| commit | 07d1ff916b1731143f3ce7d76e4d1d2a5052a9ca (patch) | |
| tree | 31388babc284703cdb539b4f31aed20f1cda0f42 /src/partialator.c | |
| parent | 42fecffa4b8fb382fc9d1f24cf81357ee32730e7 (diff) | |
Residual and scaling fixes
Diffstat (limited to 'src/partialator.c')
| -rw-r--r-- | src/partialator.c | 19 |
1 files changed, 7 insertions, 12 deletions
diff --git a/src/partialator.c b/src/partialator.c index a72eda50..46a5a25f 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -1236,6 +1236,13 @@ int main(int argc, char *argv[]) STATUS("Scaling and refinement cycle %i of %i\n", i+1, n_iter); + if ( !no_pr ) { + + r = (reference != NULL) ? reference : full; + refine_all(crystals, n_crystals, r, nthreads, pmodel); + + } + if ( !no_scale ) { if ( reference == NULL ) { @@ -1257,18 +1264,6 @@ int main(int argc, char *argv[]) } } - if ( !no_pr ) { - - r = (reference != NULL) ? reference : full; - refine_all(crystals, n_crystals, r, nthreads, pmodel); - - reflist_free(full); - full = merge_intensities(crystals, n_crystals, nthreads, - pmodel, min_measurements, - push_res, 1); - - } - check_rejection(crystals, n_crystals, full, max_B); reflist_free(full); full = merge_intensities(crystals, n_crystals, nthreads, |