Towards real-time analysis of liquid jet alignment in serial femtosecond crystallography

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dc.contributor.authorPatel, Jen_AU
dc.contributor.authorRound, Aen_AU
dc.contributor.authorBielecki, Jen_AU
dc.contributor.authorDoerner, Ken_AU
dc.contributor.authorKirkwood, HJen_AU
dc.contributor.authorLetrun, Ren_AU
dc.contributor.authorSchulz, Jen_AU
dc.contributor.authorSikorski, Men_AU
dc.contributor.authorValiki, Men_AU
dc.contributor.authorde Wijn, Ren_AU
dc.contributor.authorPeele, AGen_AU
dc.contributor.authorMancuso, APen_AU
dc.contributor.authorAbbey, Ben_AU
dc.date.accessioned2023-12-19T01:24:48Zen_AU
dc.date.available2023-12-19T01:24:48Zen_AU
dc.date.issued2022-06-02en_AU
dc.date.statistics2023-04-06en_AU
dc.description.abstractLiquid 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 licenceen_AU
dc.description.sponsorshipWe acknowledge the EuXFEL in Schenefeld, Germany, for provision of XFEL beam time on SPB/SFX and thank the staff for their assistance. The authors also thank Agnieszka Wrona (EuXFEL) for technical support in device fabrication, and Andrew Nelson Butterfield and Michael Heymann (University of Stuttgart) for fruitful discussions. Open access publishing facilitated by La Trobe University, as part of the Wiley – La Trobe University agreement via the Council of Australian University Librarians.en_AU
dc.identifier.citationPatel, J., Round, A., Bielecki, J., Doerner, K., Kirkwood, H., Letrun, R., Schulz, J., Sikorski, M., Vakili, M., de Wijn, R., Peele, A., Mancuso, A. P., & Abbey, B. (2022). Towards real-time analysis of liquid jet alignment in serial femtosecond crystallography. Journal of Applied Crystallography, 55(4), 944-952. doi:10.1107/S1600576722005891en_AU
dc.identifier.issn1600-5767en_AU
dc.identifier.issue4en_AU
dc.identifier.journaltitleJournal of Applied Crystallographyen_AU
dc.identifier.pagination944-952en_AU
dc.identifier.urihttps://doi.org/doi:10.1107/S1600576722005891en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/15290en_AU
dc.identifier.volume55en_AU
dc.language.isoenen_AU
dc.publisherInternational Union of Crystallographyen_AU
dc.relation.urihttps://doi.org/doi:10.1107/S1600576722005891en_AU
dc.subjectCrystallographyen_AU
dc.subjectAutomationen_AU
dc.subjectImagesen_AU
dc.subjectBeamsen_AU
dc.subjectPulsesen_AU
dc.subjectAlgorithmsen_AU
dc.subjectOptical microscopyen_AU
dc.titleTowards real-time analysis of liquid jet alignment in serial femtosecond crystallographyen_AU
dc.typeJournal Articleen_AU
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