diff options
Diffstat (limited to 'libcrystfel')
| -rw-r--r-- | libcrystfel/src/predict-refine.c | 8 |
1 files changed, 5 insertions, 3 deletions
diff --git a/libcrystfel/src/predict-refine.c b/libcrystfel/src/predict-refine.c index 14a60bc7..9062e754 100644 --- a/libcrystfel/src/predict-refine.c +++ b/libcrystfel/src/predict-refine.c @@ -556,21 +556,18 @@ static double UNUSED residual(struct reflpeak *rps, int n, struct detector *det) for ( i=0; i<n; i++ ) { r += EXC_WEIGHT * rps[i].Ih * pow(r_dev(&rps[i]), 2.0); } - printf("%e ", r); res += r; r = 0.0; for ( i=0; i<n; i++ ) { r += pow(x_dev(&rps[i], det), 2.0); } - printf("%e ", r); res += r; r = 0.0; for ( i=0; i<n; i++ ) { r += pow(y_dev(&rps[i], det), 2.0); } - printf("%e\n", r); res += r; return res; @@ -600,6 +597,7 @@ int refine_prediction(struct image *image, Crystal *cr) double total_x = 0.0; double total_y = 0.0; double total_z = 0.0; + char tmp[256]; rps = malloc(image_feature_count(image->features) * sizeof(struct reflpeak)); @@ -641,6 +639,10 @@ int refine_prediction(struct image *image, Crystal *cr) } //STATUS("Final residual = %e\n", residual(rps, n, image->det)); + snprintf(tmp, 255, "predict_refine/final_residual = %e", + residual(rps, n, image->det)); + crystal_add_notes(cr, tmp); + crystal_set_det_shift(cr, total_x, total_y); crystal_set_reflections(cr, NULL); |