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Free log-likelihood as an unbiased metric for coherent diffraction imaging.

ABSTRACT: Coherent Diffraction Imaging (CDI), a technique where an object is reconstructed from a single (2D or 3D) diffraction pattern, recovers the lost diffraction phases without a priori knowledge of the extent (support) of the object. The uncertainty of the object support can lead to over-fitting and prevents an unambiguous metric evaluation of solutions. We propose to use a 'free' log-likelihood indicator, where a small percentage of points are masked from the reconstruction algorithms, as an unbiased metric to evaluate the validity of computed solutions, independent of the sample studied. We also show how a set of solutions can be analysed through an eigen-decomposition to yield a better estimate of the real object. Example analysis on experimental data is presented both for a test pattern dataset, and the diffraction pattern from a live cyanobacteria cell. The method allows the validation of reconstructions on a wide range of materials (hard condensed or biological), and should be particularly relevant for 4th generation synchrotrons and X-ray free electron lasers, where large, high-throughput datasets require a method for unsupervised data evaluation.

SUBMITTER: Favre-Nicolin V

PROVIDER: S-EPMC7021796 | biostudies-literature |

REPOSITORIES: biostudies-literature

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