diff options
Diffstat (limited to 'src/check_hkl.c')
| -rw-r--r-- | src/check_hkl.c | 36 |
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], |