diff options
| -rw-r--r-- | src/predict-refine.c | 9 | ||||
| -rw-r--r-- | src/process_image.c | 10 |
2 files changed, 1 insertions, 18 deletions
diff --git a/src/predict-refine.c b/src/predict-refine.c index 50fc7f8a..cedcb370 100644 --- a/src/predict-refine.c +++ b/src/predict-refine.c @@ -279,21 +279,12 @@ static int pair_peaks(struct image *image, Crystal *cr, * good pairings */ for ( i=0; i<n; i++ ) { - double p, rlow, rhigh; double fs, ss, pd; signed int h, k, l; Reflection *refl = rps[i].refl; get_indices(refl, &h, &k, &l); - /* Is the supposed reflection anywhere near Bragg? */ - get_partial(refl, &rlow, &rhigh, &p); - if ( (rlow-rhigh)/2.0 > 0.02e9 ) { - STATUS("rejecting %i %i %i because exerr=%e nm^-1\n", - h, k, l, 1e9*(rlow-rhigh)/2.0); - continue; - } - /* Is the supposed reflection anywhere near the peak? */ get_detector_pos(refl, &fs, &ss); pd = pow(fs - rps[i].peak->fs, 2.0) diff --git a/src/process_image.c b/src/process_image.c index bfbe496e..1a5a3477 100644 --- a/src/process_image.c +++ b/src/process_image.c @@ -66,18 +66,10 @@ static void try_refine_autoR(struct image *image, Crystal *cr) return; } - /* Reset the profile radius and estimate again with better geometry */ - crystal_set_profile_radius(cr, 0.02e9); + /* Estimate radius again with better geometry */ refine_radius(cr, image); new_R = crystal_get_profile_radius(cr); - if ( (new_R > 0.02e9) || (new_R > 1.2*old_R) || (old_R > 0.02e9) ) { - STATUS("Rejecting refinement solution with " - "R %.3f -> %.3f nm^-1\n", old_R/1e9, new_R/1e9); - crystal_set_user_flag(cr, 1); - return; - } - snprintf(notes, 1024, "predict_refine/R old = %.5f new = %.5f nm^-1", old_R/1e9, new_R/1e9); crystal_add_notes(cr, notes); |