[cctbxbb] Unstable platform-dependent sort order for flex.sort_permutation

richard.gildea at diamond.ac.uk richard.gildea at diamond.ac.uk
Fri Nov 18 08:55:57 PST 2016


Hi,

Thanks all for the responses, I think the simplest solution would be to add an option stable=False to flex.sort_permutation that can optionally use std::stable_sort in place of std::sort.

Luc: split_unmerged splits an unmerged dataset into two random half datasets, in order to calculate the correlation coefficient between the two half datasets:

https://github.com/cctbx/cctbx_project/blob/master/cctbx/miller/merge_equivalents.h#L534

See also Karplus, P. A., & Diederichs, K. (2012). Linking crystallographic model and data quality. Science, 336(6084), 1030-1033:

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3457925/

Cheers,

Richard

Dr Richard Gildea
Data Analysis Scientist
Tel: +441235 77 8078

Diamond Light Source Ltd.
Diamond House
Harwell Science & Innovation Campus
Didcot
Oxfordshire
OX11 0DE
________________________________
From: cctbxbb-bounces at phenix-online.org [cctbxbb-bounces at phenix-online.org] on behalf of Luc Bourhis [luc_j_bourhis at mac.com]
Sent: 18 November 2016 16:45
To: cctbx mailing list
Subject: Re: [cctbxbb] Unstable platform-dependent sort order for flex.sort_permutation


On 18 Nov 2016, at 17:10, richard.gildea at diamond.ac.uk<mailto:richard.gildea at diamond.ac.uk> wrote:

a different value of the calculate correlation coefficient between those two half datasets:

What does split_unmerged do again?


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