diff options
| -rw-r--r-- | doc/man/compare_hkl.1 | 3 | ||||
| -rw-r--r-- | src/compare_hkl.c | 7 |
2 files changed, 5 insertions, 5 deletions
diff --git a/doc/man/compare_hkl.1 b/doc/man/compare_hkl.1 index 889cd9cd..825dbd09 100644 --- a/doc/man/compare_hkl.1 +++ b/doc/man/compare_hkl.1 @@ -54,6 +54,9 @@ The Pearson correlation coefficient. .IP \fBCC*\fR .PD See Karplus and Diederichs, Science 336 (2012) p1030. +.IP \fBCCano\fR +.PD +The correlation coefficient of the Bijvoet differences of acentric reflections. .PP I1 and I2 are the intensities of the same reflection in both reflection lists. The scale factor, k, is given by sum(I1*i2) / sum(I2^2), unless you use \fB-u\fR. .RE diff --git a/src/compare_hkl.c b/src/compare_hkl.c index 986b9617..193adfbb 100644 --- a/src/compare_hkl.c +++ b/src/compare_hkl.c @@ -83,7 +83,7 @@ static void show_help(const char *s) "\n" " -y, --symmetry=<sym> The symmetry of both the input files.\n" " -p, --pdb=<filename> PDB file to use.\n" -" --fom=<FoM> Calculate this figure of merit Choose from:.\n" +" --fom=<FoM> Calculate this figure of merit Choose from:\n" " R1I, R1F, R2, Rsplit, CC, CCstar, CCano.\n" " --nshells=<n> Use <n> resolution shells.\n" " -u Force scale factor to 1.\n" @@ -1019,11 +1019,8 @@ int main(int argc, char *argv[]) Reflection *refl1_bij = NULL; Reflection *refl2_bij = NULL; signed int hb, kb, lb; - int centric; - centric = is_centric(h, k, l, sym); - - if ( centric ) { + if ( is_centric(h, k, l, sym) ) { ncen++; continue; } |