diff options
| author | Thomas White <taw@physics.org> | 2015-11-18 17:07:32 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2015-11-18 17:07:32 +0100 |
| commit | 40dd7ff04a44688544e22cc3a0384bef808abc64 (patch) | |
| tree | 50349b6b9cb9f01f325839b28615f422a76e5187 /src/partialator.c | |
| parent | 89949625d5e390488f30746743709614b9827d15 (diff) | |
Move B factor limit to general rejection function
Diffstat (limited to 'src/partialator.c')
| -rw-r--r-- | src/partialator.c | 7 |
1 files changed, 3 insertions, 4 deletions
diff --git a/src/partialator.c b/src/partialator.c index 6de69cd2..23f0c089 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -1009,7 +1009,7 @@ int main(int argc, char *argv[]) /* Initial rejection, figures of merit etc */ full = merge_intensities(crystals, n_crystals, nthreads, pmodel, min_measurements, push_res, 1); - check_rejection(crystals, n_crystals, full); + check_rejection(crystals, n_crystals, full, max_B); show_all_residuals(crystals, n_crystals, full); write_pgraph(full, crystals, n_crystals, 0); @@ -1019,8 +1019,7 @@ int main(int argc, char *argv[]) STATUS("Scaling and refinement cycle %i of %i\n", i+1, n_iter); if ( !no_scale ) { - scale_all(crystals, n_crystals, nthreads, pmodel, - max_B); + scale_all(crystals, n_crystals, nthreads, pmodel); reflist_free(full); full = merge_intensities(crystals, n_crystals, nthreads, pmodel, min_measurements, @@ -1036,7 +1035,7 @@ int main(int argc, char *argv[]) push_res, 1); } - check_rejection(crystals, n_crystals, full); + check_rejection(crystals, n_crystals, full, max_B); reflist_free(full); full = merge_intensities(crystals, n_crystals, nthreads, pmodel, min_measurements, |