Known Issues in 20171219 autoPROC release:


Please also check the autoPROC home page and the news page for updates and snapshot releases.

Bruker Photon-II data

The same issue as in previous snapshot version still seems to exist.


The XDS binaries built on 20180302 can create an exception (core dump) during the indexing stages of autoPROC. The XDS developers are aware of this and a fix will be released as soon as possible. For the moment, please keep using the previous XDS binary.

Update: fixed with XDS binaries BUILT=20180307

CCP4 truncate

A serious bug in the CCP4 program TRUNCATE has come to our attention, which we have just reported to the CCP4 team. This problem affects all computations involving conversion from intensities to amplitudes, resulting in wrong amplitudes/sigmas. It was introduced on "Mon 2017-05-22 17:19:55 +0100" (via an only partially correct modification by CCP4) and possibly made it into CCP4 update version 7.0.039 onwards, i.e. it is still present in the current CCP4 version 7.0.056.

Please note that the data autoPROC provided via our own STARANISO program (staraniso_alldata-unique.mtz) is unaffected (since it handles that procedure internally itself in the correct way). We are still investigating the impact this bug could have on refinement results when using the problematic data (truncate-unique.mtz), but are aware of a number of deposited PDB entries during the last year affected by this.

The effect is a complete lack of amplitudes with F/SIGF values within (roughly) the 10-20 range. It can easily be detected by plotting a histogram of F/SIGF values from any MTZ file (the next autoPROC release will contain a tool for doing this).

The recommended solution for autoPROC users is to use the STARANISO processed data. The next autoPROC release will contain additional checks and workarounds for this problem until a fix has been released by the CCP4 team.

Update: CCP4 version 7.0.057 (released 10th May 2018) contains a fixed version of TRUNCATE.