Pub Date : 2024-09-01Epub Date: 2024-07-15DOI: 10.1107/S1600577524005149
Jiayi Wang, Zheng Dong, Yi Zhang, Wenqiang Hua, Zudeng Wang, Huilong Guo, Yiming Yang, Xiaoxue Bi
StreamSAXS is a Python-based small- and wide-angle X-ray scattering (SAXS/WAXS) data analysis workflow platform with graphical user interface (GUI). It aims to provide an interactive and user-friendly tool for analysis of both batch data files and real-time data streams. Users can easily create customizable workflows through the GUI to meet their specific needs. One characteristic of StreamSAXS is its plug-in framework, which enables developers to extend the built-in workflow tasks. Another feature is the support for both already acquired and real-time data sources, allowing StreamSAXS to function as an offline analysis platform or be integrated into large-scale acquisition systems for end-to-end data management. This paper presents the core design of StreamSAXS and provides user cases demonstrating its utilization for SAXS/WAXS data analysis in offline and online scenarios.
{"title":"StreamSAXS: a Python-based workflow platform for processing streaming SAXS/WAXS data.","authors":"Jiayi Wang, Zheng Dong, Yi Zhang, Wenqiang Hua, Zudeng Wang, Huilong Guo, Yiming Yang, Xiaoxue Bi","doi":"10.1107/S1600577524005149","DOIUrl":"10.1107/S1600577524005149","url":null,"abstract":"<p><p>StreamSAXS is a Python-based small- and wide-angle X-ray scattering (SAXS/WAXS) data analysis workflow platform with graphical user interface (GUI). It aims to provide an interactive and user-friendly tool for analysis of both batch data files and real-time data streams. Users can easily create customizable workflows through the GUI to meet their specific needs. One characteristic of StreamSAXS is its plug-in framework, which enables developers to extend the built-in workflow tasks. Another feature is the support for both already acquired and real-time data sources, allowing StreamSAXS to function as an offline analysis platform or be integrated into large-scale acquisition systems for end-to-end data management. This paper presents the core design of StreamSAXS and provides user cases demonstrating its utilization for SAXS/WAXS data analysis in offline and online scenarios.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11371052/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141617451","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01Epub Date: 2024-07-30DOI: 10.1107/S1600577524005861
Lingfei Hu, Hongchang Wang, Kawal Sawhney
In situ wavefront sensing plays a critical role in the delivery of high-quality beams for X-ray experiments. X-ray speckle-based techniques stand out among other in situ techniques for their easy experimental setup and various data acquisition modes. Although X-ray speckle-based techniques have been under development for more than a decade, there are still no user-friendly software packages for new researchers to begin with. Here, we present an open-source Python package, spexwavepy, for X-ray wavefront sensing using speckle-based techniques. This Python package covers a variety of X-ray speckle-based techniques, provides plenty of examples with real experimental data and offers detailed online documentation for users. We hope it can help new researchers learn and apply the speckle-based techniques for X-ray wavefront sensing to synchrotron radiation and X-ray free-electron laser beamlines.
原位波前传感在为 X 射线实验提供高质量光束方面起着至关重要的作用。基于 X 射线斑点的技术因其简单的实验设置和多种数据采集模式而在其他原位技术中脱颖而出。虽然基于 X 射线斑点的技术已经发展了十多年,但仍然没有用户友好的软件包供新研究人员开始使用。在此,我们介绍一款开源 Python 软件包--spexwavepy,用于基于斑点技术的 X 射线波前传感。这个 Python 软件包涵盖了多种基于斑点技术的 X 射线波前传感技术,提供了大量真实实验数据示例,并为用户提供了详细的在线文档。我们希望它能帮助新研究人员学习并将基于斑点的 X 射线波前传感技术应用于同步辐射和 X 射线自由电子激光光束线。
{"title":"Spexwavepy: an open-source Python package for X-ray wavefront sensing using speckle-based techniques.","authors":"Lingfei Hu, Hongchang Wang, Kawal Sawhney","doi":"10.1107/S1600577524005861","DOIUrl":"10.1107/S1600577524005861","url":null,"abstract":"<p><p>In situ wavefront sensing plays a critical role in the delivery of high-quality beams for X-ray experiments. X-ray speckle-based techniques stand out among other in situ techniques for their easy experimental setup and various data acquisition modes. Although X-ray speckle-based techniques have been under development for more than a decade, there are still no user-friendly software packages for new researchers to begin with. Here, we present an open-source Python package, spexwavepy, for X-ray wavefront sensing using speckle-based techniques. This Python package covers a variety of X-ray speckle-based techniques, provides plenty of examples with real experimental data and offers detailed online documentation for users. We hope it can help new researchers learn and apply the speckle-based techniques for X-ray wavefront sensing to synchrotron radiation and X-ray free-electron laser beamlines.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11371044/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141793836","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01Epub Date: 2024-07-23DOI: 10.1107/S1600577524005484
F d'Acapito, M A Rehman
The simulation of EXAFS spectra of thin films via ab initio methods is discussed. The procedure for producing the spectra is presented as well as an application to a two-dimensional material (WSe2) where the effectiveness of this method in reproducing the spectrum and the linear dichroic response is shown. A series of further examples in which the method has been employed for the structural determination of materials are given.
本文讨论了通过 ab initio 方法模拟薄膜 EXAFS 光谱的问题。介绍了生成光谱的程序,以及对一种二维材料(WSe2)的应用,显示了这种方法在再现光谱和线性二向色反应方面的有效性。此外,还列举了一系列使用该方法测定材料结构的实例。
{"title":"Effectiveness of ab initio molecular dynamics in simulating EXAFS spectra from layered systems.","authors":"F d'Acapito, M A Rehman","doi":"10.1107/S1600577524005484","DOIUrl":"10.1107/S1600577524005484","url":null,"abstract":"<p><p>The simulation of EXAFS spectra of thin films via ab initio methods is discussed. The procedure for producing the spectra is presented as well as an application to a two-dimensional material (WSe<sub>2</sub>) where the effectiveness of this method in reproducing the spectrum and the linear dichroic response is shown. A series of further examples in which the method has been employed for the structural determination of materials are given.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11371032/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141753118","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01Epub Date: 2024-07-15DOI: 10.1107/S1600577524004788
Elizaveta Kozyr, Sara Martí-Sánchez, Alina Skorynina, Jordi Arbiol, Carlos Escudero, Lorenzo Mino, Aram Bugaev
In situ and operando investigation of photocatalysts plays a fundamental role in understanding the processes of active phase formation and the mechanisms of catalytic reactions, which is crucial for the rational design of more efficient materials. Using a custom-made operando photocatalytic cell, an in situ procedure to follow the formation steps of Pd/TiO2 photocatalyst by synchrotron-based X-ray absorption spectroscopy (XAS) is proposed. The procedure resulted in the formation of ∼1 nm Pd particles with a much narrower size distribution and homogeneous spreading over TiO2 support compared with the samples generated in a conventional batch reactor. The combination of in situ XAS spectroscopy with high-angle annular dark-field scanning transmission electron microscopy demonstrated the formation of single-atom Pd(0) sites on TiO2 as the initial step of the photodeposition process. Palladium hydride particles were observed for all investigated samples upon exposure to formic acid solutions.
光催化剂的原位和操作研究在了解活性相形成过程和催化反应机理方面发挥着基础性作用,这对于合理设计更高效的材料至关重要。利用定制的操作光催化池,提出了一种通过同步辐射 X 射线吸收光谱(XAS)跟踪 Pd/TiO2 光催化剂形成步骤的原位程序。与传统的间歇式反应器中生成的样品相比,该程序生成的 Pd 颗粒大小分布窄得多,且均匀地分布在 TiO2 载体上。原位 XAS 光谱法与高角度环形暗场扫描透射电子显微镜相结合,证明了单原子 Pd(0) 位点在二氧化钛上的形成是光沉积过程的第一步。所有研究样品在接触甲酸溶液后都观察到了氢化钯颗粒。
{"title":"In situ photodeposition of ultra-small palladium particles on TiO<sub>2</sub>.","authors":"Elizaveta Kozyr, Sara Martí-Sánchez, Alina Skorynina, Jordi Arbiol, Carlos Escudero, Lorenzo Mino, Aram Bugaev","doi":"10.1107/S1600577524004788","DOIUrl":"10.1107/S1600577524004788","url":null,"abstract":"<p><p>In situ and operando investigation of photocatalysts plays a fundamental role in understanding the processes of active phase formation and the mechanisms of catalytic reactions, which is crucial for the rational design of more efficient materials. Using a custom-made operando photocatalytic cell, an in situ procedure to follow the formation steps of Pd/TiO<sub>2</sub> photocatalyst by synchrotron-based X-ray absorption spectroscopy (XAS) is proposed. The procedure resulted in the formation of ∼1 nm Pd particles with a much narrower size distribution and homogeneous spreading over TiO<sub>2</sub> support compared with the samples generated in a conventional batch reactor. The combination of in situ XAS spectroscopy with high-angle annular dark-field scanning transmission electron microscopy demonstrated the formation of single-atom Pd(0) sites on TiO<sub>2</sub> as the initial step of the photodeposition process. Palladium hydride particles were observed for all investigated samples upon exposure to formic acid solutions.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11371036/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141617450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01Epub Date: 2024-08-27DOI: 10.1107/S1600577524006751
Sebastian Paripsa, Abhijeet Gaur, Frank Förste, Dmitry E Doronkin, Wolfgang Malzer, Christopher Schlesiger, Birgit Kanngießer, Edmund Welter, Jan Dierk Grunwaldt, Dirk Lützenkirchen-Hecht
Under DAPHNE4NFDI, the X-ray absorption spectroscopy (XAS) reference database, RefXAS, has been set up. For this purpose, we developed a method to enable users to submit a raw dataset, with its associated metadata, via a dedicated website for inclusion in the database. Implementation of the database includes an upload of metadata to the scientific catalogue and an upload of files via object storage, with automated query capabilities through a web server and visualization of the data and files. Based on the mode of measurements, quality criteria have been formulated for the automated check of any uploaded data. In the present work, the significant metadata fields for reusability, as well as reproducibility of results (FAIR data principles), are discussed. Quality criteria for the data uploaded to the database have been formulated and assessed. Moreover, the usability and interoperability of available XAS data/file formats have been explored. The first version of the RefXAS database prototype is presented, which features a human verification procedure, currently being tested with a new user interface designed specifically for curators; a user-friendly landing page; a full list of datasets; advanced search capabilities; a streamlined upload process; and, finally, a server-side automatic authentication and (meta-) data storage via MongoDB, PostgreSQL and (data-) files via relevant APIs.
在 DAPHNE4NFDI 项目下,建立了 X 射线吸收光谱(XAS)参考数据库 RefXAS。为此,我们开发了一种方法,使用户能够通过专门网站提交原始数据集及其相关元数据,以便纳入数据库。数据库的实施包括向科学目录上传元数据和通过对象存储上传文件,并通过网络服务器提供自动查询功能以及数据和文件的可视化。根据测量模式,制定了质量标准,用于自动检查任何上传的数据。在本工作中,讨论了可重复使用的重要元数据字段以及结果的可重复性(FAIR 数据原则)。还制定并评估了上传到数据库的数据的质量标准。此外,还探讨了现有 XAS 数据/文件格式的可用性和互操作性。介绍了第一版 RefXAS 数据库原型,其特点包括:人工验证程序(目前正在测试专为馆长设计的新用户界面);用户友好的登陆页面;完整的数据集列表;高级搜索功能;简化的上传流程;最后,通过 MongoDB、PostgreSQL 和相关 API(数据)文件进行服务器端自动验证和(元)数据存储。
{"title":"RefXAS: an open access database of X-ray absorption spectra.","authors":"Sebastian Paripsa, Abhijeet Gaur, Frank Förste, Dmitry E Doronkin, Wolfgang Malzer, Christopher Schlesiger, Birgit Kanngießer, Edmund Welter, Jan Dierk Grunwaldt, Dirk Lützenkirchen-Hecht","doi":"10.1107/S1600577524006751","DOIUrl":"10.1107/S1600577524006751","url":null,"abstract":"<p><p>Under DAPHNE4NFDI, the X-ray absorption spectroscopy (XAS) reference database, RefXAS, has been set up. For this purpose, we developed a method to enable users to submit a raw dataset, with its associated metadata, via a dedicated website for inclusion in the database. Implementation of the database includes an upload of metadata to the scientific catalogue and an upload of files via object storage, with automated query capabilities through a web server and visualization of the data and files. Based on the mode of measurements, quality criteria have been formulated for the automated check of any uploaded data. In the present work, the significant metadata fields for reusability, as well as reproducibility of results (FAIR data principles), are discussed. Quality criteria for the data uploaded to the database have been formulated and assessed. Moreover, the usability and interoperability of available XAS data/file formats have been explored. The first version of the RefXAS database prototype is presented, which features a human verification procedure, currently being tested with a new user interface designed specifically for curators; a user-friendly landing page; a full list of datasets; advanced search capabilities; a streamlined upload process; and, finally, a server-side automatic authentication and (meta-) data storage via MongoDB, PostgreSQL and (data-) files via relevant APIs.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11371060/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142082368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01Epub Date: 2024-08-22DOI: 10.1107/S1600577524006994
Peicheng Zhang, Zhisen Jiang, Yan He, Aiguo Li
The development of hard X-ray nanoprobe techniques has given rise to a number of experimental methods, like nano-XAS, nano-XRD, nano-XRF, ptychography and tomography. Each method has its own unique data processing algorithms. With the increase in data acquisition rate, the large amount of generated data is now a big challenge to these algorithms. In this work, an intuitive, user-friendly software system is introduced to integrate and manage these algorithms; by taking advantage of the loosely coupled, component-based design approach of the system, the data processing speed of the imaging algorithm is enhanced through optimization of the parallelism efficiency. This study provides meaningful solutions to tackle complexity challenges faced in synchrotron data processing.
硬 X 射线纳米探针技术的发展催生了许多实验方法,如纳米 XAS、纳米 XRD、纳米 XRF、层析成像和层析成像。每种方法都有其独特的数据处理算法。随着数据采集率的提高,大量生成的数据成为这些算法面临的一大挑战。在这项工作中,引入了一个直观、用户友好的软件系统来集成和管理这些算法;利用该系统松散耦合、基于组件的设计方法,通过优化并行效率来提高成像算法的数据处理速度。这项研究为解决同步辐射数据处理中面临的复杂性挑战提供了有意义的解决方案。
{"title":"A distributed software system for integrating data-intensive imaging methods in a hard X-ray nanoprobe beamline at the SSRF.","authors":"Peicheng Zhang, Zhisen Jiang, Yan He, Aiguo Li","doi":"10.1107/S1600577524006994","DOIUrl":"10.1107/S1600577524006994","url":null,"abstract":"<p><p>The development of hard X-ray nanoprobe techniques has given rise to a number of experimental methods, like nano-XAS, nano-XRD, nano-XRF, ptychography and tomography. Each method has its own unique data processing algorithms. With the increase in data acquisition rate, the large amount of generated data is now a big challenge to these algorithms. In this work, an intuitive, user-friendly software system is introduced to integrate and manage these algorithms; by taking advantage of the loosely coupled, component-based design approach of the system, the data processing speed of the imaging algorithm is enhanced through optimization of the parallelism efficiency. This study provides meaningful solutions to tackle complexity challenges faced in synchrotron data processing.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11371055/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142019257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A state-of-the-art multilayer deposition system with a 4200 mm-long linear substrate translator housed within an ultra-high vacuum chamber has been developed. This instrument is engineered to produce single and multilayer coatings, accommodating mirrors up to 2000 mm in length through the utilization of eight rectangular cathodes. To ensure the quality and reliability of the coatings, the system incorporates various diagnostic tools for in situ thickness uniformity and stress measurement. Furthermore, the system features an annealing process capable of heating up to 700°C within the load-lock chamber. The entire operation, including pump down, deposition and venting processes, is automated through user-friendly software. In addition, all essential log data, power of sputtering source, working pressure and motion positions are automatically stored for comprehensive data analysis. Preliminary commissioning results demonstrate excellent lateral film thickness uniformity, achieving 0.26% along the translation direction over 1500 mm in dynamic mode. The multilayer deposition system is poised for use in fabricating periodic, lateral-graded and depth-graded multilayers, specifically catering to the beamlines for diverse scientific applications at Diamond Light Source.
{"title":"Development of an advanced in-line multilayer deposition system at Diamond Light Source.","authors":"Hongchang Wang, Arindam Majhi, Wai Jue Tan, Wadwan Singhapong, Christian Morawe, Kawal Sawhney","doi":"10.1107/S1600577524006854","DOIUrl":"10.1107/S1600577524006854","url":null,"abstract":"<p><p>A state-of-the-art multilayer deposition system with a 4200 mm-long linear substrate translator housed within an ultra-high vacuum chamber has been developed. This instrument is engineered to produce single and multilayer coatings, accommodating mirrors up to 2000 mm in length through the utilization of eight rectangular cathodes. To ensure the quality and reliability of the coatings, the system incorporates various diagnostic tools for in situ thickness uniformity and stress measurement. Furthermore, the system features an annealing process capable of heating up to 700°C within the load-lock chamber. The entire operation, including pump down, deposition and venting processes, is automated through user-friendly software. In addition, all essential log data, power of sputtering source, working pressure and motion positions are automatically stored for comprehensive data analysis. Preliminary commissioning results demonstrate excellent lateral film thickness uniformity, achieving 0.26% along the translation direction over 1500 mm in dynamic mode. The multilayer deposition system is poised for use in fabricating periodic, lateral-graded and depth-graded multilayers, specifically catering to the beamlines for diverse scientific applications at Diamond Light Source.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11371021/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141908062","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01Epub Date: 2024-07-30DOI: 10.1107/S1600577524006015
Tuba Çonka Yıldız, Wolfgang Freund, Jia Liu, Matthias Schreck, Dmitry Khakhulin, Hazem Yousef, Christopher Milne, Jan Grünert
The diagnostics of X-ray beam properties has a critical importance at the European X-ray Free-Electron Laser facility. Besides existing diagnostic components, utilization of a diamond sensor was proposed to achieve radiation-hard, non-invasive beam position and pulse energy measurements for hard X-rays. In particular, with very hard X-rays, diamond-based sensors become a useful complement to gas-based devices which lose sensitivity due to significantly reduced gas cross-sections. The measurements presented in this work were performed with diamond sensors consisting of an electronic-grade single-crystal chemical-vapor-deposition diamond with position-sensitive resistive electrodes in a duo-lateral configuration. The results show that the diamond sensor delivers pulse-resolved X-ray beam position data at 2.25 MHz with an uncertainty of less than 1% of the beam size. To our knowledge this is the first demonstration of pulse-resolved position measurements at the MHz rate using a transmissive diamond sensor at a free-electron laser facility. It can therefore be a valuable tool for X-ray free-electron lasers, especially for high-repetition-rate machines, enabling applications such as beam-based alignment and intra-pulse-train position feedback.
在欧洲 X 射线自由电子激光设施中,对 X 射线束特性的诊断至关重要。除了现有的诊断组件外,我们还建议利用金刚石传感器来实现对硬 X 射线的辐射硬、非侵入式光束位置和脉冲能量测量。特别是对于极硬的 X 射线,金刚石传感器是气体传感器的有益补充,因为气体传感器的灵敏度会因气体截面的显著减小而降低。这项研究使用的金刚石传感器由电子级单晶化学气相沉积金刚石和位置敏感电阻电极组成,采用双侧配置。结果表明,金刚石传感器能以 2.25 MHz 的频率提供脉冲分辨 X 射线光束位置数据,其不确定性小于光束尺寸的 1%。据我们所知,这是首次在自由电子激光设备上使用透射式金刚石传感器以 MHz 频率进行脉冲分辨位置测量的演示。因此,它可以成为 X 射线自由电子激光器,特别是高重复率机器的重要工具,实现基于光束的对准和脉冲内位置反馈等应用。
{"title":"Diamond sensors for hard X-ray energy and position resolving measurements at the European XFEL.","authors":"Tuba Çonka Yıldız, Wolfgang Freund, Jia Liu, Matthias Schreck, Dmitry Khakhulin, Hazem Yousef, Christopher Milne, Jan Grünert","doi":"10.1107/S1600577524006015","DOIUrl":"10.1107/S1600577524006015","url":null,"abstract":"<p><p>The diagnostics of X-ray beam properties has a critical importance at the European X-ray Free-Electron Laser facility. Besides existing diagnostic components, utilization of a diamond sensor was proposed to achieve radiation-hard, non-invasive beam position and pulse energy measurements for hard X-rays. In particular, with very hard X-rays, diamond-based sensors become a useful complement to gas-based devices which lose sensitivity due to significantly reduced gas cross-sections. The measurements presented in this work were performed with diamond sensors consisting of an electronic-grade single-crystal chemical-vapor-deposition diamond with position-sensitive resistive electrodes in a duo-lateral configuration. The results show that the diamond sensor delivers pulse-resolved X-ray beam position data at 2.25 MHz with an uncertainty of less than 1% of the beam size. To our knowledge this is the first demonstration of pulse-resolved position measurements at the MHz rate using a transmissive diamond sensor at a free-electron laser facility. It can therefore be a valuable tool for X-ray free-electron lasers, especially for high-repetition-rate machines, enabling applications such as beam-based alignment and intra-pulse-train position feedback.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11371024/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141793822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01Epub Date: 2024-07-30DOI: 10.1107/S1600577524006167
Jiranun Jiratrakanvong, Jinjian Shao, Jiaqi Li, Miguel Menendez Alvarez, Xintian Li, Prajwal Das, Grant Nikseresht, Nikhil Miskin, Ran Huo, Jules Nabon, Tristan Leduc, Eric Zhang, Weikang Ma, Gady Agam, Thomas C Irving
MuscleX is an integrated, open-source computer software suite for data reduction of X-ray fiber diffraction patterns from striated muscle and other fibrous systems. It is written in Python and runs on Linux, Microsoft Windows or macOS. Most modules can be run either from a graphical user interface or in a `headless mode' from the command line, suitable for incorporation into beamline control systems. Here, we provide an overview of the general structure of the MuscleX software package and describe the specific features of the individual modules as well as examples of applications.
MuscleX 是一套集成的开源计算机软件,用于对横纹肌和其他纤维系统的 X 射线纤维衍射图样进行数据还原。它由 Python 编写,可在 Linux、Microsoft Windows 或 macOS 上运行。大多数模块既可以通过图形用户界面运行,也可以通过命令行以 "无头模式 "运行,适合集成到光束线控制系统中。在此,我们将概述 MuscleX 软件包的总体结构,并介绍各个模块的具体功能以及应用实例。
{"title":"MuscleX: data analysis software for fiber diffraction patterns from muscle.","authors":"Jiranun Jiratrakanvong, Jinjian Shao, Jiaqi Li, Miguel Menendez Alvarez, Xintian Li, Prajwal Das, Grant Nikseresht, Nikhil Miskin, Ran Huo, Jules Nabon, Tristan Leduc, Eric Zhang, Weikang Ma, Gady Agam, Thomas C Irving","doi":"10.1107/S1600577524006167","DOIUrl":"10.1107/S1600577524006167","url":null,"abstract":"<p><p>MuscleX is an integrated, open-source computer software suite for data reduction of X-ray fiber diffraction patterns from striated muscle and other fibrous systems. It is written in Python and runs on Linux, Microsoft Windows or macOS. Most modules can be run either from a graphical user interface or in a `headless mode' from the command line, suitable for incorporation into beamline control systems. Here, we provide an overview of the general structure of the MuscleX software package and describe the specific features of the individual modules as well as examples of applications.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11371035/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141793824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-01Epub Date: 2024-07-23DOI: 10.1107/S1600577524004958
Manuel Sanchez Del Rio, Rafael Celestre, Juan Reyes-Herrera
The phase problem in the context of focusing synchrotron beams with X-ray lenses is addressed. The feasibility of retrieving the surface error of a lens system by using only the intensity of the propagated beam at several distances is demonstrated. A neural network, trained with a few thousand simulations using random errors, can predict accurately the lens error profile that accounts for all aberrations. It demonstrates the feasibility of routinely measuring the aberrations induced by an X-ray lens, or another optical system, using only a few intensity images.
该论文探讨了用 X 射线透镜聚焦同步加速器光束时的相位问题。研究证明了仅利用传播光束在若干距离上的强度来检索透镜系统表面误差的可行性。通过使用随机误差进行几千次模拟训练的神经网络,可以准确预测包含所有像差的透镜误差曲线。它证明了只用几幅强度图像就能对 X 射线透镜或其他光学系统引起的像差进行常规测量的可行性。
{"title":"X-ray lens figure errors retrieved by deep learning from several beam intensity images.","authors":"Manuel Sanchez Del Rio, Rafael Celestre, Juan Reyes-Herrera","doi":"10.1107/S1600577524004958","DOIUrl":"10.1107/S1600577524004958","url":null,"abstract":"<p><p>The phase problem in the context of focusing synchrotron beams with X-ray lenses is addressed. The feasibility of retrieving the surface error of a lens system by using only the intensity of the propagated beam at several distances is demonstrated. A neural network, trained with a few thousand simulations using random errors, can predict accurately the lens error profile that accounts for all aberrations. It demonstrates the feasibility of routinely measuring the aberrations induced by an X-ray lens, or another optical system, using only a few intensity images.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11371063/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141753122","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}