O. Turkot, F. Dall'Antonia, Richard Bean, J. E, H. Fangohr, D. E. Ferreira de Lima, S. Kantamneni, H. Kirkwood, F. Koua, A. Mancuso, D. Melo, A. Round, Egor Sobolev, R. de Wijn, James J. Wrigley, L. Gelisio
{"title":"在欧洲自由电子激光器实现连续晶体学数据的自动分析","authors":"O. Turkot, F. Dall'Antonia, Richard Bean, J. E, H. Fangohr, D. E. Ferreira de Lima, S. Kantamneni, H. Kirkwood, F. Koua, A. Mancuso, D. Melo, A. Round, Egor Sobolev, R. de Wijn, James J. Wrigley, L. Gelisio","doi":"10.1117/12.2669569","DOIUrl":null,"url":null,"abstract":"In this paper we introduce and discuss the EXtra-Xwiz pipeline for the semi-automated analysis of serial femtosecond crystallography data collected at the European XFEL. EXtra-Xwiz wraps the CrystFEL software suite, exposes data in a CrystFEL-compliant format, handles the interaction with the local high-performance computing cluster and simplifies certain experiment schemes such as the pump-probe one. Alongside with the integration of EXtra-Xwiz into the European XFEL ecosystem, future plans and developments are also briefly discussed.","PeriodicalId":376481,"journal":{"name":"Optics + Optoelectronics","volume":"31 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2023-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Towards automated analysis of serial crystallography data at the European XFEL\",\"authors\":\"O. Turkot, F. Dall'Antonia, Richard Bean, J. E, H. Fangohr, D. E. Ferreira de Lima, S. Kantamneni, H. Kirkwood, F. Koua, A. Mancuso, D. Melo, A. Round, Egor Sobolev, R. de Wijn, James J. Wrigley, L. Gelisio\",\"doi\":\"10.1117/12.2669569\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In this paper we introduce and discuss the EXtra-Xwiz pipeline for the semi-automated analysis of serial femtosecond crystallography data collected at the European XFEL. EXtra-Xwiz wraps the CrystFEL software suite, exposes data in a CrystFEL-compliant format, handles the interaction with the local high-performance computing cluster and simplifies certain experiment schemes such as the pump-probe one. Alongside with the integration of EXtra-Xwiz into the European XFEL ecosystem, future plans and developments are also briefly discussed.\",\"PeriodicalId\":376481,\"journal\":{\"name\":\"Optics + Optoelectronics\",\"volume\":\"31 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-06-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Optics + Optoelectronics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1117/12.2669569\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Optics + Optoelectronics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1117/12.2669569","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Towards automated analysis of serial crystallography data at the European XFEL
In this paper we introduce and discuss the EXtra-Xwiz pipeline for the semi-automated analysis of serial femtosecond crystallography data collected at the European XFEL. EXtra-Xwiz wraps the CrystFEL software suite, exposes data in a CrystFEL-compliant format, handles the interaction with the local high-performance computing cluster and simplifies certain experiment schemes such as the pump-probe one. Alongside with the integration of EXtra-Xwiz into the European XFEL ecosystem, future plans and developments are also briefly discussed.
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