From 995f1ad0169ebdbfb59bfb7834b4a03861ce8dd1 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Thu, 10 Jan 2013 15:14:00 +0100 Subject: Document compare_hkl --intensity-shells --- doc/man/compare_hkl.1 | 7 +++++++ src/compare_hkl.c | 1 + 2 files changed, 8 insertions(+) diff --git a/doc/man/compare_hkl.1 b/doc/man/compare_hkl.1 index bddbc66c..889cd9cd 100644 --- a/doc/man/compare_hkl.1 +++ b/doc/man/compare_hkl.1 @@ -98,6 +98,13 @@ Discard reflections with lower than this value of 1/d in m^-1. .PD Discard reflections with higher than this value of 1/d in m^-1. +.PD 0 +.IP \fB--intensity-shells\fR +.PD +Use intensity shells instead of resolution shells. The range of shells will start at the intensity of the least intense reflection, and extend from there by 1/5000th of the intensity of the difference between the strongest and weakest reflection in the first reflection list. The pairs of reflections will also be assigned their bins according to the intensity of the reflection in the first list. +.sp +Because of the hardcoded factor of 1/5000, needed to avoid a very uneven distribution of the number of reflection pairs in each bin, you are advised not to draw strong conclusions from the results of using this option. + .SH AUTHOR This page was written by Thomas White. diff --git a/src/compare_hkl.c b/src/compare_hkl.c index f7776598..08f26e5e 100644 --- a/src/compare_hkl.c +++ b/src/compare_hkl.c @@ -95,6 +95,7 @@ static void show_help(const char *s) " --sigma-cutoff= Discard reflections with I/sigma(I) < n.\n" " --rmin= Set a lower resolution limit (m^-1).\n" " --rmax= Set an upper resolution limit (m^-1).\n" +" --intensity-shells Use shells of intensity instead of resolution.\n" "\n" " -h, --help Display this help message.\n" ); -- cgit v1.2.3