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authorThomas White <taw@physics.org>2019-05-08 13:26:11 +0200
committerThomas White <taw@physics.org>2019-05-08 13:26:11 +0200
commit7a3d0e2bf9d17b8b7dfb81ebe9404d0bb15af87d (patch)
tree850ea5454b8f316f275ed199195c7d86b324c298 /src/check_hkl.c
parent6510da4978f8bbfa6c28418d29570706bd588404 (diff)
check_hkl: Use unsigned long for reflection counts
Diffstat (limited to 'src/check_hkl.c')
-rw-r--r--src/check_hkl.c36
1 files changed, 19 insertions, 17 deletions
diff --git a/src/check_hkl.c b/src/check_hkl.c
index ba577d45..ee5630e7 100644
--- a/src/check_hkl.c
+++ b/src/check_hkl.c
@@ -389,10 +389,10 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym,
double rmin_fix, double rmax_fix, int nshells,
const char *shell_file)
{
- int *possible;
- unsigned int *measurements;
- unsigned int *measured;
- unsigned int *snr_measured;
+ unsigned long *possible;
+ unsigned long *measurements;
+ unsigned long *measured;
+ unsigned long *snr_measured;
double total_vol, vol_per_shell;
double *rmins;
double *rmaxs;
@@ -404,10 +404,11 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym,
int i;
FILE *fh;
double snr_total = 0;
- int nrefl = 0;
- int nmeastot = 0;
- int nout = 0;
- int nsilly = 0;
+ unsigned long nrefl = 0;
+ unsigned long nmeastot = 0;
+ unsigned long nout = 0;
+ unsigned long possible_tot = 0;
+ unsigned long nsilly = 0;
Reflection *refl;
RefListIterator *iter;
RefList *counted;
@@ -416,10 +417,10 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym,
double bx, by, bz;
double cx, cy, cz;
- possible = malloc(nshells*sizeof(int));
- measurements = malloc(nshells*sizeof(unsigned int));
- measured = malloc(nshells*sizeof(unsigned int));
- snr_measured = malloc(nshells*sizeof(unsigned int));
+ possible = malloc(nshells*sizeof(unsigned long));
+ measurements = malloc(nshells*sizeof(unsigned long));
+ measured = malloc(nshells*sizeof(unsigned long));
+ snr_measured = malloc(nshells*sizeof(unsigned long));
if ( (possible == NULL) || (measurements == NULL)
|| (measured == NULL) || (snr_measured == NULL) ) {
ERROR("Couldn't allocate memory.\n");
@@ -618,17 +619,18 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym,
var[bin] += pow(val-mean[bin], 2.0);
}
+
STATUS("overall <snr> = %f\n", snr_total/(double)nrefl);
- STATUS("%i measurements in total.\n", nmeastot);
- STATUS("%i reflections in total.\n", nrefl);
+ STATUS("%li measurements in total.\n", nmeastot);
+ STATUS("%li reflections in total.\n", nrefl);
if ( nout ) {
- STATUS("WARNING; %i reflections outside resolution range.\n",
+ STATUS("WARNING; %li reflections outside resolution range.\n",
nout);
}
if ( nsilly ) {
- STATUS("WARNING; %i reflections had infinite or invalid values"
+ STATUS("WARNING; %li reflections had infinite or invalid values"
" of I/sigma(I).\n", nsilly);
}
@@ -639,7 +641,7 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym,
double cen;
cen = rmins[i] + (rmaxs[i] - rmins[i])/2.0;
- fprintf(fh, "%10.3f %8i %8i %6.2f %10i %5.1f"
+ fprintf(fh, "%10.3f %8li %8li %6.2f %10li %5.1f"
" %5.2f %10.2f %10.2f %8.2f %10.3f %10.3f\n",
cen*1.0e-9,
measured[i],