SOFTWARE DEVELOPMENTS FOR PROCESSING SOLUTION SCATTERING DATA

用于处理解决方案散射数据的软件开发

• 批准号: 7721938
• 负责人: PING LIU
• 金额: $ 4.79万
• 依托单位: STANFORD UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-03-01 至 2009-02-28
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7721938
• 关键词: Communities; Computer Retrieval of Information on Scientific Projects Database; Computer software; Condition; Country; Data; Data Collection; Data Files; Data Set; Directories; Electronics; Evaluation; Funding; Future; Grant; Institution; Masks; Names; Process; Published Directory; Reading; Research; Research Personnel; Resources; Running; Scientist; Series; Solutions; Source; Time; United States National Institutes of Health; base; computerized data processing; detector; improved; programs; software development

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. Recent electronics upgrades of the BL4-2 MarCCD165 detector improved its efficiency To analyze the isotropic scattering data acquired by the MarCCD165, MarParse, a program that can convert the 2D raw data into a universal data format expressed in I(Q) vs Q through several steps of numerical data processing, statistical evaluation and background subtraction has been further enhanced. Enhancements include 1) the use of a mask file to include as many active detector pixels as possible in azimuthal integration; 2) analysis of multiple series of data files with a standardized file name format, making processing of multiple series easier and simpler; and 3) evaluating Q values more accurate at high scattering angles. MarParseDlg, a GUI-based MarParse program, has been developed to improve the user interface. MarParseDlg reads in a parameter file and runs data processing. It has the following new capabilities: 1) take in new parameters directly from the user, rather than from a parameter file; 2) save a parameter file in the common format as with MarParse for future use; 3) periodically look up a directory for a new set of data and run quick analysis as soon as the data have been saved in the directory; and 4) plot the fully processed data in the form of I(Q) vs Q. The rapid data processing capability of MarParse and MarParseDlg contributes to highly effective data collection, especially in time-resolved studies, by allowing the user to plan the next experimental conditions carefully in a much more timely fashion. The software has been made available to the world-wide community, and there has been 37 downloads of MarParse by scientists from 14 institutions in 4 countries since August 1, 2007, when the recording of downloads was initiated.

这个子项目是许多利用 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 最近对BL 4 -2 MarCCD 165探测器进行的电子升级提高了其效率为了分析MarCCD 165获得的各向同性散射数据，MarParse进一步增强了一个程序，该程序可以通过数值数据处理、统计评估和背景扣除的几个步骤将二维原始数据转换为以I（Q）vs Q表示的通用数据格式。 增强功能包括：1）使用掩模文件以在方位角积分中包括尽可能多的有效探测器像素; 2）使用标准化文件名格式分析多个系列的数据文件，使多个系列的处理更容易和更简单;以及3）在高散射角下更准确地评估Q值。MarParseDlg是一个基于GUI的MarParse程序，已开发用于改进用户界面。MarParseDlg读取参数文件并运行数据处理。它具有以下新功能：1）直接从用户那里获取新参数，而不是从参数文件中获取; 2）将参数文件保存为与MarParse一样的通用格式，以供将来使用; 3）定期查找目录以获取新的数据集，并在数据保存到目录中后立即运行快速分析;以及4）以I（Q）对Q的形式绘制完全处理的数据。MarParse和MarParseDlg的快速数据处理能力有助于高效的数据收集，特别是在时间分辨研究中，允许用户更及时地仔细计划下一个实验条件。该软件已向全世界社区提供，自2007年8月1日开始记录下载以来，已有来自4个国家14个机构的科学家37次下载MarParse。