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authorRick Kirian <rkirian@asu.edu>2011-03-30 13:47:16 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:23 +0100
commitfcb380ae630cabcde186f0050aafbb4ccdf79f7a (patch)
treebe0d95df7bc2e8f734ed204f14cbb2b05c68ad62 /src
parentc28092f7908dc88d1e8c4fe3efa3924fbe192051 (diff)
cleanup calibrate_detector.c
Diffstat (limited to 'src')
-rw-r--r--src/calibrate_detector.c33
1 files changed, 12 insertions, 21 deletions
diff --git a/src/calibrate_detector.c b/src/calibrate_detector.c
index 35e0672c..831fcec1 100644
--- a/src/calibrate_detector.c
+++ b/src/calibrate_detector.c
@@ -43,9 +43,8 @@ static void show_help(const char *s)
" -h, --help Display this help message.\n"
" -g. --geometry=<file> Get detector geometry from file.\n"
" -i, --input=<file> Input filename.\n"
-" -m, --method=<method> The calibration method. Possiblities are\n"
+" -m, --method=<method> The calibration method.\n"
" xy Determine panel shifts in plane of detector\n"
-" (i.e. ignore camera length calibration\n"
" -o, --output=<file> Output results here"
" -n, --npeaks=<number> Don't refine unless this many peaks observed\n"
" (in the whole stream, not a single shot)\n"
@@ -208,15 +207,6 @@ int main(int argc, char *argv[])
continue;
}
- /* update reflection list since geometry may have changed
- from what is in the data stream (e.g. if iterating this
- calibration procedure) */
- //image.reflections =
- // find_projected_peaks(&image,image.indexed_cell,0, 0.1);
-
- //printf("chunk %d\n",nChunks);
- //cell_print(image.indexed_cell);
-
// now loop through peaks to determine mean panel shift
nFeatures = image_feature_count(image.features);
@@ -254,6 +244,8 @@ int main(int argc, char *argv[])
if ( p->no_index ) continue;
/* now determine the predicted peak position */
+
+ /* scattering vector of this peak */
q = get_q(&image, fs, ss, &twotheta, 1.0/image.lambda);
/* miller indices of nearest Bragg reflection */
@@ -269,7 +261,6 @@ int main(int argc, char *argv[])
k = lrint(kd);
l = lrint(ld);
-
/* now get scattering vector for reflectin [hkl]
* this means solving the equation U*q = h */
@@ -285,33 +276,33 @@ int main(int argc, char *argv[])
gsl_vector_view b
= gsl_vector_view_array (hvec, 3);
- gsl_vector *xx = gsl_vector_alloc (3);
+ gsl_vector *x = gsl_vector_alloc (3);
int s;
gsl_permutation * perm = gsl_permutation_alloc (3);
gsl_linalg_LU_decomp (&m.matrix, perm, &s);
- gsl_linalg_LU_solve (&m.matrix, perm, &b.vector, xx);
+ gsl_linalg_LU_solve (&m.matrix, perm, &b.vector, x);
- // outgoing wavevector
- double x = xx->data[0];
- double y = xx->data[1];
- double z = xx->data[2];
+ /* outgoing wavevector for [hkl] */
+ double gx = x->data[0];
+ double gy = x->data[1];
+ double gz = x->data[2];
double kk;
double xd, yd, cl;
double plx, ply;
kk = 1/image.lambda;
- const double den = kk + z;
+ const double den = kk + gz;
/* Camera length for this panel */
cl = p->clen;
/* Coordinates of peak relative to central beam, in m */
- xd = cl * x / den;
- yd = cl * y / den;
+ xd = cl * gx / den;
+ yd = cl * gy / den;
/* Convert to pixels */
xd *= p->res;