Automatic bad-pixel mask maker for X-ray pixel detectors with application to serial crystallography

J Appl Crystallogr. 2022 Nov 21;55(Pt 6):1549-1561. doi: 10.1107/S1600576722009815. eCollection 2022 Dec 1.

Abstract

X-ray crystallography has witnessed a massive development over the past decade, driven by large increases in the intensity and brightness of X-ray sources and enabled by employing high-frame-rate X-ray detectors. The analysis of large data sets is done via automatic algorithms that are vulnerable to imperfections in the detector and noise inherent with the detection process. By improving the model of the behaviour of the detector, data can be analysed more reliably and data storage costs can be significantly reduced. One major requirement is a software mask that identifies defective pixels in diffraction frames. This paper introduces a methodology and program based upon concepts of machine learning, called robust mask maker (RMM), for the generation of bad-pixel masks for large-area X-ray pixel detectors based on modern robust statistics. It is proposed to discriminate normally behaving pixels from abnormal pixels by analysing routine measurements made with and without X-ray illumination. Analysis software typically uses a Bragg peak finder to detect Bragg peaks and an indexing method to detect crystal lattices among those peaks. Without proper masking of the bad pixels, peak finding methods often confuse the abnormal values of bad pixels in a pattern with true Bragg peaks and flag such patterns as useful regardless, leading to storage of enormous uninformative data sets. Also, it is computationally very expensive for indexing methods to search for crystal lattices among false peaks and the solution may be biased. This paper shows how RMM vastly improves peak finders and prevents them from labelling bad pixels as Bragg peaks, by demonstrating its effectiveness on several serial crystallography data sets.

Keywords: bad-pixel masks; machine learning; robust mask maker; robust statistics; serial crystallography.

Grants and funding

This work was funded by AMALEA Project, a Helmholz initiative. We further acknowledge support from DESY (Hamburg, Germany), a member of the Helmholtz Association HGF, and the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) grant No. 491245950. We also acknowledge support from the Cluster of Excellence ‘CUI: Advanced Imaging of Matter’ of the Deutsche Forschungsgemeinschaft (DFG) EXC 2056, project ID 390715994.