IMPROVED SOFTWARE AND METHODS FOR DATA COLLECTION

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。 改进的数据收集软件和方法 罗宾逊、斯金纳、赫鲁、施耐德、苏亚雷斯、斯威特、奥维尔 目标：我们将开发一个多功能的基于网络的作业排队系统，以实现对自动数据收集过程的异地异步控制；我们将开发和传播我们所有光束线系统的真正远程操作；我们将继续与国际合作生产用于自主和智能数据收集的名为EDNA的软件；将在我们的几台衍射仪上安装迷你卡帕定向器，以提供具有完整数据集和真正冗余的自动多通道数据收集；并将努力扩展我们的EPICS系统的能力。 结果我们继续对EPICS进行尽可能多的控制。2009年，我们所有的ADSC探测器都被置于EPICS控制之下。这是通过一个基于Linux的IOC实现的，该IOC使用Mark Rivers的“areaDetector”模块。我们的新型火线数码摄像机也采用了类似的方法。 约翰·斯金纳在温哥华举行的EPICS合作会议上发表了演讲，会上介绍了这项工作以及早期的光谱控制工作。 我们已经将X26C的所有吸收光谱控制与CBASS集成在一起。海洋光学公司的USB4000分光光度计由EPICS IOC控制。相关光学吸收光谱通常在X射线衍射数据收集之前、期间和之后收集。提供即时反馈以显示X射线剂量引起的光谱扰动。整个光谱系列都被记录下来，并通过光束线的实验跟踪数据库系统PXDB以几种格式提供给用户。 我们还将拉曼光谱与两个激发激光(785 nm和532 nm)集成到光束线控制中。 我们实现了“栅格扫描”，帮助用户通过衍射筛选找到细小的晶体。我们希望将其集成到“Q”中，这是我们的异步远程访问方法。我们进一步增强了“Q”，为用户提供了一种直接从PXDB Sweep报告下载数据的方法。PXDB现在提供了一种机制，允许将PUK“签入”到排队系统中。 CBass的基本代码在2009年底进行了大量重写。光束线控制现在是基于使用Python类的面向对象的基础上的。CBass图形用户界面客户端和CBass服务器之间的通信现在基于EPICS软IOC。这些修改极大地简化了代码，并为新的CBASS添加和修改提供了更容易/更快的实施。 任务管理系统Trac已经实施并被采用，以协助工作管理。我们计划扩大Trac的使用范围，包括开发和维护一个“Wiki”风格的网站。 计划我们将继续抓住机遇，与NSLS-II软件工作者建立牢固的联系。我们将帮助X9的新SAXS光束线开发软件来驱动他们的用户程序。 意义这一群体几十年来凭借在软件方面的坚定创新和在满足实验者需求方面的灵活性而蓬勃发展。

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. Improved software and methods for data collection  Robinson, Skinner, H¿roux, Schneider, Soares, Sweet, Orville Objectives The objectives stated in the recent renewal proposal are these: We will develop a versatile web-based job-queueing system to allow asynchronous off-site control of the automated data-collection process, we'll develop and disseminate true remote operation of all of our beamline systems, we will continue in the international collaboration to produce the software named EDNA for autonomous and intelligent data collection, will incorporate the mini-kappa orienters on several of our diffractometers to provide automatic multi-pass data collection with complete data sets and true redundancy, and will work to extend the capabilities of our EPICS systems. Results  We continue to push as much control as possible into EPICS. All of our ADSC detectors were put under EPICS control in 2009. This was done with a linux-based IOC that uses Mark Rivers's "areaDetector" module. A similar approach was used for our new firewire digital video cameras. John Skinner gave a presentation at the EPICS collaboration meeting in Vancouver where this work was presented together with early spectroscopy control efforts. We have integrated all of the Absorption Spectroscopy controls at X26C with CBASS. The Ocean Optics USB4000 spectrophotometer is controlled through an EPICS IOC. Correlated optical absorption spectroscopy is routinely collected before, during, and after x-ray diffraction data collection. Instant feedback is provided to show spectroscopic perturbations induced by x-ray dose. The entire family of spectra is documented and available to the user in several formats through the beamline's experiment tracking database system, PXDB. We are also integrating Raman spectroscopy with two excitation lasers (785nm and 532nm) into the beamline controls. We implemented "Grid Scan" to assist users in finding small crystals through diffraction screening. We expect to integrated this into "Q," our asynchronous, remote-access method. We enhanced "Q" further by providing users with a way to download their data directly from the PXDB sweep reports. PXDB now provides a mechanism to allow pucks to be "checked in" to the queuing system. The underlying code of CBASS was rewritten substantially at the end of 2009. Beamline control is now based on an object-oriented foundation using Python classes. The communications between the CBASS GUI client and CBASS server is now based on an EPICS soft IOC. These modifications have streamlined the code significantly and provide easier/faster implementations of new CBASS additions and modifications. The task-management system, Trac, has been implemented and adopted to assist in job management. We plan to extend our use of Trac to include the development and maintenance of a "Wiki" style website. Plans  We will continue to respond to opportunities and make firm contacts with NSLS-II software workers. We will help the new SAXS beamline at X9 in creating software to drive their user program. Significance  This group has thrived over the decades by being resolutely innovative in both software and flexibility in providing for the needs of experimenters.