SOFTWARE DEVELOPMENTS FOR PROCESSING SOLUTION SCATTERING DATA

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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.