Commit 902378fa authored by Thomas White's avatar Thomas White
Browse files

partial_sim: Document --pgraph

parent c876a962
......@@ -71,6 +71,17 @@ When combined with with \fB-i\fR, specifies the symmetry of the input reflection
Add random values with a flat distribution to the components of the reciprocal lattice vectors written to the stream, simulating indexing errors. The maximum value that will be added is +/- \fIval\fR percent.
.PD 0
.IP "\fB--pgraph=\fR\fIfilename\fR
Write reflection statistics to \fifilename\fR. The file consists of a one-line
header and has columns as follows: the centre of the resolution bin (in inverse
nanometres), the number of reflections in that bin across the whole simulated
data set, the mean partiality for the bin, and the maximum partiality which was
encountered in the bin.
This page was written by Thomas White.
......@@ -178,6 +178,8 @@ static void show_help(const char *s)
" -c, --cnoise=<val> Add random noise, with a flat distribution, to the\n"
" reciprocal lattice vector components given in the\n"
" stream, with maximum error +/- <val> percent.\n"
" --pgraph=<file> Write reflection counts and partiality statistics\n"
" to <file>.\n"
......@@ -538,6 +540,8 @@ int main(int argc, char *argv[])
if ( fh != NULL ) {
fprintf(fh, "1/d_nm #refl pmean pmax\n");
for ( i=0; i<NBINS; i++ ) {
double rcen;
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