Browsing by Author "Letrun, R"

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    Towards real-time analysis of liquid jet alignment in serial femtosecond crystallography
    (International Union of Crystallography, 2022-06-02) Patel, J; Round, A; Bielecki, J; Doerner, K; Kirkwood, HJ; Letrun, R; Schulz, J; Sikorski, M; Valiki, M; de Wijn, R; Peele, AG; Mancuso, AP; Abbey, B
    Liquid sample delivery systems are used extensively for serial femtosecond crystallography at X-ray free-electron lasers (XFELs). However, misalignment of the liquid jet and the XFEL beam leads to the X-rays either partially or completely missing the sample, resulting in sample wastage and a loss of experiment time. Implemented here is an algorithm to analyse optical images using machine vision to determine whether there is overlap of the X-ray beam and liquid jet. The long-term goal is to use the output from this algorithm to implement an automated feedback mechanism to maintain constant alignment of the X-ray beam and liquid jet. The key elements of this jet alignment algorithm are discussed and its performance is characterized by comparing the results with a manual analysis of the optical image data. The success rate of the algorithm for correctly identifying hits is quantified via a similarity metric, the Dice coefficient. In total four different nozzle designs were used in this study, yielding an overall Dice coefficient of 0.98. © 2022 The Authors, CC BY 4.0 licence