diff options
Diffstat (limited to 'libcrystfel/src/peaks.c')
| -rw-r--r-- | libcrystfel/src/peaks.c | 34 |
1 files changed, 15 insertions, 19 deletions
diff --git a/libcrystfel/src/peaks.c b/libcrystfel/src/peaks.c index 0d4ce64b..dac1a96e 100644 --- a/libcrystfel/src/peaks.c +++ b/libcrystfel/src/peaks.c @@ -52,14 +52,6 @@ #include "beam-parameters.h" -/* How close a peak must be to an indexed position to be considered "close" - * for the purposes of double hit detection and sanity checking. */ -#define PEAK_CLOSE (30.0) - -/* How close a peak must be to an indexed position to be considered "close" - * for the purposes of integration. */ -#define PEAK_REALLY_CLOSE (10.0) - /* Degree of polarisation of X-ray beam */ #define POL (1.0) @@ -184,8 +176,8 @@ int integrate_peak(struct image *image, int cfs, int css, out_lim_sq = pow(ir_out, 2.0); /* Estimate the background */ - for ( fs=-ir_out; fs<+ir_out; fs++ ) { - for ( ss=-ir_out; ss<+ir_out; ss++ ) { + for ( fs=-ir_out; fs<=+ir_out; fs++ ) { + for ( ss=-ir_out; ss<=+ir_out; ss++ ) { double val; uint16_t flags; @@ -233,8 +225,8 @@ int integrate_peak(struct image *image, int cfs, int css, pk_total = 0.0; pk_counts = 0; fsct = 0.0; ssct = 0.0; - for ( fs=-ir_inn; fs<+ir_inn; fs++ ) { - for ( ss=-ir_inn; ss<+ir_inn; ss++ ) { + for ( fs=-ir_inn; fs<=+ir_inn; fs++ ) { + for ( ss=-ir_inn; ss<=+ir_inn; ss++ ) { double val; uint16_t flags; @@ -541,9 +533,6 @@ int peak_sanity_check(struct image *image) struct integr_ind { - signed int h; - signed int k; - signed int l; double res; Reflection *refl; }; @@ -585,9 +574,6 @@ static struct integr_ind *sort_reflections(RefList *list, UnitCell *cell, get_indices(refl, &h, &k, &l); res = resolution(cell, h, k, l); - il[i].h = h; - il[i].k = k; - il[i].l = l; il[i].res = res; il[i].refl = refl; @@ -627,10 +613,12 @@ void integrate_reflections(struct image *image, int use_closer, int bgsub, double pfs, pss; int r; Reflection *refl; + signed int h, k, l; refl = il[i].refl; get_detector_pos(refl, &pfs, &pss); + get_indices(refl, &h, &k, &l); /* Is there a really close feature which was detected? */ if ( use_closer ) { @@ -643,11 +631,19 @@ void integrate_reflections(struct image *image, int use_closer, int bgsub, } else { f = NULL; } - if ( (f != NULL) && (d < PEAK_REALLY_CLOSE) ) { + + /* FIXME: Horrible hardcoded value */ + if ( (f != NULL) && (d < 10.0) ) { + + double exe; + + exe = get_excitation_error(refl); pfs = f->fs; pss = f->ss; + set_detector_pos(refl, exe, pfs, pss); + } } |