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Deep-learning-powered desmearing for small-angle scattering
IF 5.2 3区 材料科学
Journal of Applied Crystallography Pub Date : 2025-02-11 DOI: 10.1107/S1600576725000494
Weigang Zhou, Xiuguo Chen, Jiahao Zhang, Shuo Liu, Dingxuan Deng, Shilong Yang, Zirong Tang, Shiyuan Liu
{"title":"Deep-learning-powered desmearing for small-angle scattering","authors":"Weigang Zhou,&nbsp;Xiuguo Chen,&nbsp;Jiahao Zhang,&nbsp;Shuo Liu,&nbsp;Dingxuan Deng,&nbsp;Shilong Yang,&nbsp;Zirong Tang,&nbsp;Shiyuan Liu","doi":"10.1107/S1600576725000494","DOIUrl":"https://doi.org/10.1107/S1600576725000494","url":null,"abstract":"<p>Smearing effects in small-angle scattering (SAS) measurements significantly compromise data analysis, arising from the convolution of theoretical scattering curves with the point spread function of the measurement system. This paper presents a deep-learning-based desmearing network (DSNet) designed to effectively mitigate smearing effects in SAS data. By integrating the processes underlying scattering data smearing, DSNet necessitates only a limited simulation dataset for pre-training. Both simulation and experimental results have demonstrated that DSNet exhibits robust noise resilience and exceptional generalization performance across diverse sample types, and achieves superior desmearing capabilities compared with the classical Lake method and Wiener filter.</p>","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 2","pages":"504-512"},"PeriodicalIF":5.2,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143741283","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 5.2 3区 材料科学
Journal of Applied Crystallography Pub Date : 2025-02-11
{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 2","pages":"523-534"},"PeriodicalIF":5.2,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143741282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 5.2 3区 材料科学
Journal of Applied Crystallography Pub Date : 2025-02-11
{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 2","pages":"321-332"},"PeriodicalIF":5.2,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143741267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 5.2 3区 材料科学
Journal of Applied Crystallography Pub Date : 2025-02-01
{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 1","pages":"251-259"},"PeriodicalIF":5.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143243817","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 5.2 3区 材料科学
Journal of Applied Crystallography Pub Date : 2025-02-01
{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 1","pages":"283-289"},"PeriodicalIF":5.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143243819","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 5.2 3区 材料科学
Journal of Applied Crystallography Pub Date : 2025-02-01
{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 1","pages":"233-250"},"PeriodicalIF":5.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143243816","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Reciprocal-space mapping calculations of X-ray Laue diffraction in a crystal with thermomigration channels
IF 5.2 3区 材料科学
Journal of Applied Crystallography Pub Date : 2025-02-01 DOI: 10.1107/S1600576724012366
Vasily Punegov
{"title":"Reciprocal-space mapping calculations of X-ray Laue diffraction in a crystal with thermomigration channels","authors":"Vasily Punegov","doi":"10.1107/S1600576724012366","DOIUrl":"https://doi.org/10.1107/S1600576724012366","url":null,"abstract":"<p>X-ray diffraction in a crystal with lattice strains is studied theoretically using two-dimensional recurrence relations in Laue geometry. Based on these relations, an algorithm for calculating the coherent scattering intensity near a reciprocal-lattice node is developed. Simulation of reciprocal-space mapping was performed for a model of a silicon crystal with Si(Al) thermomigration channels. The change in reciprocal-space maps is shown depending on the strain magnitude in the channel and scanning of the X-ray beam along the input surface of the crystal.</p>","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 1","pages":"260-268"},"PeriodicalIF":5.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143243818","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
iPowder: advanced software for automated high-throughput X-ray diffraction analysis
IF 5.2 3区 材料科学
Journal of Applied Crystallography Pub Date : 2025-02-01 DOI: 10.1107/S1600576724012160
Shihui Chang, Binfeng Lv, Wanting Yang, Cheng Dong, Nebil A. Katcho, Shixun Cao, Jincang Zhang, Juan Rodriguez-Carvajal, Zhenjie Feng
{"title":"iPowder: advanced software for automated high-throughput X-ray diffraction analysis","authors":"Shihui Chang,&nbsp;Binfeng Lv,&nbsp;Wanting Yang,&nbsp;Cheng Dong,&nbsp;Nebil A. Katcho,&nbsp;Shixun Cao,&nbsp;Jincang Zhang,&nbsp;Juan Rodriguez-Carvajal,&nbsp;Zhenjie Feng","doi":"10.1107/S1600576724012160","DOIUrl":"https://doi.org/10.1107/S1600576724012160","url":null,"abstract":"<p>In the burgeoning era of materials genomics, the need for fast and accurate X-ray diffraction (XRD) analysis has never been greater. To accommodate the rapid data generation of high-throughput XRD experiments, a new and powerful computer program, <i>iPowder</i>, has been developed. Not only does it have an efficient and straightforward graphical user interface but it also excels in high-throughput data analysis. The main function of the program is the rapid processing of datasets. This paper presents the convenient functionalities provided by <i>iPowder</i> for high-throughput XRD data analysis.</p>","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 1","pages":"296-301"},"PeriodicalIF":5.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143243820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 5.2 3区 材料科学
Journal of Applied Crystallography Pub Date : 2025-01-30
{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 1","pages":"187-193"},"PeriodicalIF":5.2,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143253786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 5.2 3区 材料科学
Journal of Applied Crystallography Pub Date : 2025-01-30
{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 1","pages":"221-226"},"PeriodicalIF":5.2,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143253831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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