diff options
| -rw-r--r-- | doc/man/partialator.1 | 5 | ||||
| -rw-r--r-- | src/partialator.c | 43 |
2 files changed, 46 insertions, 2 deletions
diff --git a/doc/man/partialator.1 b/doc/man/partialator.1 index ce766642..f1476790 100644 --- a/doc/man/partialator.1 +++ b/doc/man/partialator.1 @@ -79,6 +79,11 @@ Run \fIn\fR analyses in parallel. Disable the polarisation correction. .PD 0 +.IP \fB--max-adu=\fR\fIn\fR +.PD +Include reflections only if their peak values were less than \fIn\fR. That means, \fIn\fR is the saturation value of the detector. The default is infinity, i.e. no cutoff. + +.PD 0 .IP \fB--min-measurements=\fR\fIn\fR .PD Include a reflection in the output only if it appears at least least \fIn\fR times. The default is \fB--min-measurements=2\fR. diff --git a/src/partialator.c b/src/partialator.c index bdee29c5..e5f965ed 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -74,6 +74,7 @@ static void show_help(const char *s) " -m, --model=<model> Specify partiality model.\n" " --min-measurements=<n> Minimum number of measurements to require.\n" " --no-polarisation Disable polarisation correction.\n" +" --max-adu=<n> Saturation value of detector.\n" " -j <n> Run <n> analyses in parallel.\n"); } @@ -199,6 +200,31 @@ static const char *str_flags(Crystal *cr) } +static RefList *apply_max_adu(RefList *list, double max_adu) +{ + RefList *nlist; + Reflection *refl; + RefListIterator *iter; + + nlist = reflist_new(); + if ( nlist == NULL ) return NULL; + + for ( refl = first_refl(list, &iter); + refl != NULL; + refl = next_refl(refl, iter) ) + { + if ( get_peak(refl) < max_adu ) { + signed int h, k, l; + get_indices(refl, &h, &k, &l); + Reflection *nrefl = add_refl(nlist, h, k, l); + copy_data(nrefl, refl); + } + } + reflist_free(list); + return nlist; +} + + int main(int argc, char *argv[]) { int c; @@ -224,12 +250,13 @@ int main(int argc, char *argv[]) char *rval; struct srdata srdata; int polarisation = 1; + double max_adu = +INFINITY; /* Long options */ const struct option longopts[] = { {"help", 0, NULL, 'h'}, - {"version", 0, NULL, 3 }, + {"version", 0, NULL, 'v'}, {"input", 1, NULL, 'i'}, {"output", 1, NULL, 'o'}, {"symmetry", 1, NULL, 'y'}, @@ -238,6 +265,7 @@ int main(int argc, char *argv[]) {"model", 1, NULL, 'm'}, {"min-measurements", 1, NULL, 2}, + {"max-adu", 1, NULL, 3}, {"no-scale", 0, &noscale, 1}, {"no-polarisation", 0, &polarisation, 0}, @@ -265,7 +293,7 @@ int main(int argc, char *argv[]) show_help(argv[0]); return 0; - case 3 : + case 'v' : printf("CrystFEL: " CRYSTFEL_VERSIONSTRING "\n"); printf(CRYSTFEL_BOILERPLATE"\n"); return 0; @@ -303,6 +331,15 @@ int main(int argc, char *argv[]) } break; + case 3 : + errno = 0; + max_adu = strtod(optarg, &rval); + if ( *rval != '\0' ) { + ERROR("Invalid value for --max-adu.\n"); + return 1; + } + break; + case 0 : break; @@ -415,6 +452,8 @@ int main(int argc, char *argv[]) /* This is the raw list of reflections */ cr_refl = crystal_get_reflections(cr); + cr_refl = apply_max_adu(cr_refl, max_adu); + if ( polarisation ) { polarisation_correction(cr_refl, crystal_get_cell(cr), |