From d055c5c8f2e489bae2d34d567d6e2457910b4c51 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Thu, 21 Nov 2013 22:03:24 -0800 Subject: compare_hkl: Add Rano and Rano/Rsplit --- doc/man/compare_hkl.1 | 14 ++++++++++++-- 1 file changed, 12 insertions(+), 2 deletions(-) (limited to 'doc/man/compare_hkl.1') diff --git a/doc/man/compare_hkl.1 b/doc/man/compare_hkl.1 index 8ae7574c..26ec7faf 100644 --- a/doc/man/compare_hkl.1 +++ b/doc/man/compare_hkl.1 @@ -38,13 +38,13 @@ Calculate figure of merit \fIFoM\fR. Possible figures of merit are: .RS .IP \fBRsplit\fR .PD -2^(-0.5) * sum(I1-kI2) / [ 0.5*sum(I1+kI2) ] +2^(-0.5) * sum(|I1-kI2|) / [ 0.5*sum(I1+kI2) ] .IP \fBR1f\fR .PD sum(sqrt(I1)-sqrt(kI2)) / sum(sqrt(I1)) .IP \fBR1i\fR .PD -sum(I1-kI2) / sum(I1) +sum(|I1-kI2|) / sum(I1) .IP \fBR2\fR .PD sqrt(sum[(I1-kI2)^2] / sum(I1^2)) @@ -57,6 +57,16 @@ See Karplus and Diederichs, Science 336 (2012) p1030. .IP \fBCCano\fR .PD The correlation coefficient of the Bijvoet differences of acentric reflections. +.IP \fBCRDano\fR +.PD +RMS anomalous correlation ratio: The anomalous differences from each data set are plotted in a scatter graph, and the variance along both diagonals measured. See Evans, Acta Crystallographica D62 (2006) p72. +.IP \fBRano\fR +.PD +sum(|I+ - I-|) / 0.5*sum(I+ - I-) +Note that I+ will be taken to be the mean of the I+ values from both data sets, and likewise for I-. +.IP \fBRano/Rsplit\fR +.PD +The ratio of Rano to Rsplit, as defined above. .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 -- cgit v1.2.3