SOFTWARE DEVELOPMENTS FOR PROCESSING SOLUTION SCATTERING DATA

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 最近对BL4-2MarCCD165探测器进行的电子升级提高了其分析MarCCD165采集的各向同性散射数据的效率，MarParse程序进一步增强，该程序可以通过数值数据处理、统计评估和背景减去几个步骤将2D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，以便在方位向积分中包含尽可能多的活动探测器像素；2)以标准化的文件名格式分析多系列数据文件，使多系列数据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是一个基于图形用户界面的MarParse程序，它的开发是为了改进用户界面。MarParseDlg读取参数文件并运行数据处理。它具有以下新功能：1)直接从用户接收新参数，而不是从参数文件中；2)将参数文件保存为与MarParse相同的通用格式，以供将来使用；3)定期查找目录中的新数据集，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)和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，特别是在时间解析的研究中，因为允许用户以更及时的方式仔细计划下一个实验条件。该软件已向全世界提供，自2007年8月1日开始记录下载以来，已有来自4个国家14个机构的科学家下载了37次MarParse。

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.