SOFTWARE DEVELOPMENTS FOR PROCESSING SOLUTION SCATTERING DATA

这个子项目是许多研究子项目中的一个 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Rayonix MX225-HE探测器的采集和采用需要MarParse程序的附加功能，该程序最初是为了分析MarCCD 165探测器采集的各向同性散射数据而开发的。 MarParse用于将从CCD探测器获得的2D原始图像转换为以I（Q）vs Q表示的通用数据格式，通过几个数值数据处理步骤，包括统计评估和背景减除。 增强功能包括：1）去除原始图像中的锯齿，这对于利用MX225-HE探测器的高灵敏度非常重要，并允许在正常模式下采集图像，节省射束时间; 2）图像形状的选择，这是用来识别图像是否是矩形的（由MX225-HE探测器采集）或圆形（由MarCCD 165探测器采集）;以及3）能够处理大尺寸图像，高达4096 x4096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，并在数据保存在目录中时立即运行快速分析，并以I（Q）vs Q的形式绘制完全处理的数据。还开发了一个新的安装程序MarParseSetup，可以在PC上顺利安装MarParse，解决了在没有最新的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，允许用户以更及时的方式仔细计划下一个实验条件。该软件已在网上提供，自2007年8月1日开始记录下载以来，来自8个国家25个机构的科学家共下载了57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 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.