diff options
Diffstat (limited to 'src/check_hkl.c')
| -rw-r--r-- | src/check_hkl.c | 10 |
1 files changed, 6 insertions, 4 deletions
diff --git a/src/check_hkl.c b/src/check_hkl.c index a5e206c1..69ec34ef 100644 --- a/src/check_hkl.c +++ b/src/check_hkl.c @@ -623,14 +623,15 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym, " of I/sigma(I).\n", nsilly); } - fprintf(fh, "1/d centre # refs Possible Compl " - "Meas Red SNR Std dev Mean d(A)\n"); + fprintf(fh, "Center 1/nm # refs Possible Compl " + "Meas Red SNR Std dev Mean d(A) " + "Min 1/nm Max 1/nm\n"); for ( i=0; i<nshells; i++ ) { double cen; cen = rmins[i] + (rmaxs[i] - rmins[i])/2.0; fprintf(fh, "%10.3f %8i %8i %6.2f %10i %5.1f" - " %5.2f %10.2f %10.2f %8.2f\n", + " %5.2f %10.2f %10.2f %8.2f %10.3f %10.3f\n", cen*1.0e-9, measured[i], possible[i], @@ -639,7 +640,8 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym, (double)measurements[i]/measured[i], snr[i]/(double)snr_measured[i], sqrt(var[i]/measured[i]), - mean[i], (1.0/cen)*1e10); + mean[i], (1.0/cen)*1e10, + rmins[i]*1.0e-9, rmaxs[i]*1.0e-9); } |