diff options
Diffstat (limited to 'libcrystfel')
| -rw-r--r-- | libcrystfel/src/peaks.c | 27 |
1 files changed, 26 insertions, 1 deletions
diff --git a/libcrystfel/src/peaks.c b/libcrystfel/src/peaks.c index 768b9ce9..54de7dee 100644 --- a/libcrystfel/src/peaks.c +++ b/libcrystfel/src/peaks.c @@ -544,6 +544,14 @@ struct integr_ind }; +static int compare_resolution(const void *av, const void *bv) +{ + const struct integr_ind *a = av; + const struct integr_ind *b = bv; + + return a->res > b->res; +} + static struct integr_ind *sort_reflections(RefList *list, UnitCell *cell, int *n) { @@ -577,6 +585,8 @@ static struct integr_ind *sort_reflections(RefList *list, UnitCell *cell, i++; } + qsort(il, *n, sizeof(struct integr_ind), compare_resolution); + return il; } @@ -587,6 +597,8 @@ void integrate_reflections(struct image *image, int polar, int use_closer, { struct integr_ind *il; int n, i; + double av = 0.0; + int first = 1; il = sort_reflections(image->reflections, image->indexed_cell, &n); if ( il == NULL ) { @@ -600,7 +612,7 @@ void integrate_reflections(struct image *image, int polar, int use_closer, double d; int idx; double bg, max; - double sigma; + double sigma, snr; double pfs, pss; int r; Reflection *refl; @@ -626,6 +638,7 @@ void integrate_reflections(struct image *image, int polar, int use_closer, pss = f->ss; } + } r = integrate_peak(image, pfs, pss, &fs, &ss, @@ -644,5 +657,17 @@ void integrate_reflections(struct image *image, int polar, int use_closer, set_redundancy(refl, 0); } + snr = intensity / sigma; + if ( snr > 1.0 ) { + if ( first ) { + av = snr; + first = 0; + } else { + av = av + 0.1*(snr - av); + } + //STATUS("%5.2f A, %5.2f, av %5.2f\n", + // 1e10/il[i].res, snr, av); + //if ( av < 1.0 ) break; + } } } |