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: 7954288
• 负责人: PING LIU
• 金额: $ 3.31万
• 依托单位: STANFORD UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-03-01 至 2010-02-28
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7954288
• 关键词: Adoption; Computer Retrieval of Information on Scientific Projects Database; Computer software; Country; Data; Data Collection; Data Set; Directories; Evaluation; Excision; Funding; Grant; Image; Institution; Internet; Libraries; Link; Process; Published Directory; Reading; Research; Research Personnel; Resources; Running; Scientist; Shapes; Solutions; Source; Time; United States National Institutes of Health; base; computerized data processing; data format; detector; experience; improved; programs; software development; structural biology; synchrotron radiation

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 acquisition and adoption of a Rayonix MX225-HE detector requires additional features from the MarParse program, which was initially developed to analyze the isotropic scattering data acquired by the MarCCD165 detector. MarParse is used to convert the 2D raw images obtained from the CCD detectors into a universal data format expressed in I(Q) vs Q through several steps of numerical data processing, including statistical evaluation and background subtraction. Enhancements include 1) the removal of zingers in the raw images, this is important to take the advantage of the high sensitivity of the MX225-HE detector and allows images to be acquired in normal mode, saving beam time; 2) choice of image shape, this is to be used to identify whether the image is rectangular (acquired by the MX225-HE detector) or circular (acquired by the MarCCD165 detector); and 3) ability to handle images of large sizes, up to 4096x4096 pixels. MarParseDlg, a GUI-based MarParse program, has been developed to improve the user experience. MarParseDlg reads a parameter file and runs data processing. Besides the capabilities of MarParse, it can be used to periodically look up a directory for a new data set and run quick analysis as soon as the data have been saved in the directory, and plot the fully processed data in the form of I(Q) vs Q. A new installer program, MarParseSetup, has also been developed to install MarParse on a PC smoothly, solving the potential problem of running MarParse on a PC that does not have the latest Mircosoft dynamic link libraries. The rapid data processing capability of MarParse and MarParseDlg has contributed 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 on the web, and there has been 57 downloads of MarParse by scientists from 25 institutions in 8 countries since August 1, 2007, when the recording of downloads was started.

该子项目是利用该技术的众多研究子项目之一 资源由 NIH/NCRR 资助的中心拨款提供。子项目和 研究者 (PI) 可能已从 NIH 的另一个来源获得主要资金， 因此可以在其他 CRISP 条目中表示。列出的机构是 对于中心来说，它不一定是研究者的机构。 最近收购和采用 Rayonix MX225-HE 探测器需要 MarParse 程序的附加功能，该程序最初是为了分析 MarCCD165 探测器获取的各向同性散射数据而开发的。 MarParse 用于通过几个步骤的数值数据处理（包括统计评估和背景扣除）将从 CCD 探测器获得的 2D 原始图像转换为以 I(Q) 与 Q 表示的通用数据格式。 增强功能包括 1) 去除原始图像中的亮点，这对于利用 MX225-HE 探测器的高灵敏度非常重要，并且允许在正常模式下采集图像，从而节省波束时间； 2）图像形状的选择，用于识别图像是矩形（MX225-HE探测器采集）还是圆形（MarCCD165探测器采集）； 3) 能够处理大尺寸图像，最高可达 4096x4096 像素。 MarParseDlg 是一个基于 GUI 的 MarParse 程序，旨在改善用户体验。 MarParseDlg 读取参数文件并运行数据处理。除了 MarParse 的功能外，它还可以用于定期查找新数据集的目录，并在数据保存到目录中后立即运行快速分析，并以 I(Q ）与Q。还开发了新的安装程序MarParseSetup，可以在PC上顺利安装MarParse，解决在没有最新Mircosoft动态链接库的PC上运行MarParse的潜在问题。 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规划下一个实验条件。该软件已在网络上提供，自2007年8月1日开始记录下载以来，来自8个国家25个机构的科学家已对MarParse进行了57次下载。