diff options
Diffstat (limited to 'src/check_hkl.c')
| -rw-r--r-- | src/check_hkl.c | 16 |
1 files changed, 12 insertions, 4 deletions
diff --git a/src/check_hkl.c b/src/check_hkl.c index aa972a7f..d01303d4 100644 --- a/src/check_hkl.c +++ b/src/check_hkl.c @@ -359,17 +359,25 @@ static void wilson_plot(RefList *list, UnitCell *cell, const SymOpList *sym, double *s2fit; double *lnifit; int nbfit = 0; + int ndisc = 0; s2fit = malloc(nbins*sizeof(double)); lnifit = malloc(nbins*sizeof(double)); if ( (s2fit==NULL) || (lnifit==NULL) ) return; for ( i=0; i<nbins-bs; i++ ) { - if ( isnan(plot_i[bs+i]) ) continue; - s2fit[i] = s2[bs+i]; - lnifit[i] = plot_i[bs+i]; + if ( isnan(plot_i[bs+i]) ) { + ndisc++; + continue; + } + s2fit[nbfit] = s2[bs+i]; + lnifit[nbfit] = plot_i[bs+i]; nbfit++; } + if ( ndisc > 0 ) { + ERROR("%i bins contained invalid values " + "and were ignored.\n", ndisc); + } if ( nbfit < 3 ) { - ERROR("Too many bits had invalid values.\n"); + ERROR("Not enough bins left.\n"); return; } gsl_fit_linear(s2fit, 1, lnifit, 1, nbfit, |