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-rw-r--r--libcrystfel/src/stream.c23
1 files changed, 22 insertions, 1 deletions
diff --git a/libcrystfel/src/stream.c b/libcrystfel/src/stream.c
index 09bb1631..74b420ed 100644
--- a/libcrystfel/src/stream.c
+++ b/libcrystfel/src/stream.c
@@ -324,6 +324,7 @@ static void write_crystal(Stream *st, Crystal *cr, int include_reflections)
double bsx, bsy, bsz;
double csx, csy, csz;
double a, b, c, al, be, ga;
+ double rad;
fprintf(st->fh, CRYSTAL_START_MARKER"\n");
@@ -351,6 +352,9 @@ static void write_crystal(Stream *st, Crystal *cr, int include_reflections)
fprintf(st->fh, "centering = %c\n", cell_get_centering(cell));
fprintf(st->fh, "unique_axis = %c\n", cell_get_unique_axis(cell));
+ rad = crystal_get_profile_radius(cr);
+ fprintf(st->fh, "profile_radius = %.5f nm^-1\n", rad/1e9);
+
reflist = crystal_get_reflections(cr);
if ( reflist != NULL ) {
@@ -408,6 +412,9 @@ void write_chunk(Stream *st, struct image *i, struct hdfile *hdfile,
fprintf(st->fh, "photon_energy_eV = %f\n",
J_to_eV(ph_lambda_to_en(i->lambda)));
+ fprintf(st->fh, "beam_divergence = %.5f mrad\n", i->div*1e3);
+ fprintf(st->fh, "beam_bandwidth = %.5f %%\n", i->bw*100.0);
+
copy_hdf5_fields(hdfile, i->copyme, st->fh);
if ( i->det != NULL ) {
@@ -500,7 +507,7 @@ void read_crystal(Stream *st, struct image *image)
do {
- float u, v, w, lim;
+ float u, v, w, lim, rad;
char c;
rval = fgets(line, 1023, st->fh);
@@ -561,6 +568,10 @@ void read_crystal(Stream *st, struct image *image)
crystal_set_resolution_limit(cr, lim*1e9);
}
+ if ( sscanf(line, "profile_radius = %f nm^-1", &rad) == 1 ) {
+ crystal_set_profile_radius(cr, rad*1e9);
+ }
+
if ( strcmp(line, REFLECTION_START_MARKER) == 0 ) {
RefList *reflist;
@@ -643,6 +654,8 @@ int read_chunk(Stream *st, struct image *image)
do {
+ float div, bw;
+
rval = fgets(line, 1023, st->fh);
/* Trouble? */
@@ -668,6 +681,14 @@ int read_chunk(Stream *st, struct image *image)
have_ev = 1;
}
+ if ( sscanf(line, "beam_divergence = %f mrad", &div) == 1 ) {
+ image->div = div/1e3;
+ }
+
+ if ( sscanf(line, "beam_bandwidth = %f %%", &bw) == 1 ) {
+ image->bw = bw/100.0;
+ }
+
if ( strncmp(line, "camera_length_", 14) == 0 ) {
if ( image->det != NULL ) {