Efficient Management of Waters Empower Software Data Using OpenLAB ECM Technical Note Introduction In most laboratories there are variety of data and information-generating products including the various analytical instruments and desktop applications used to create and process graphics, secondary calculations, summary reports, SOPs, and training records. Archiving and repurposing this information is an important part of the data lifecycle. However, searching for specific information within an archive can be time consuming if it is not organized and searchable. In a multi-vendor laboratory, it s often difficult for analysts to search for and aggregate information produced by and stored in many different vendors software. Chromatography data systems (CDS) that have an Oracle database backend and that do not produce discrete flat files such as Waters Empower software, present an additional data management challenge. These products produce a compressed archive file that cannot be viewed, indexed, or searched later. Agilent OpenLAB Enterprise Content Manager (ECM) is the solution. OpenLAB ECM provides secure, centralized management of all data types produced in the laboratory- -analytical data from any technique or manufacturer, reports from data systems captured as PDF files through standard print operations, and documents, presentations, spreadsheets, and graphics from desktop applications. Once in OpenLAB ECM, Empower data are secured, in a searchable, centralized, web-based repository, available to preview and report without restoring them back to the Empower database. Storing Empower data with the rest of your lab data saves time by providing a single repository to search for, review and report all of your data. It also conserves IT resources by providing a single system to manage and maintain laboratory data for long-term storage. This technical note describes the OpenLAB ECM features that enable laboratories to archive, preview, and report Empower data and configuration of the Empower data archive options. The OpenLAB ECM capabilities described are supported for data obtained from Empower 2 and Empower 3 software.
Solution Overview Two OpenLAB ECM components enable easy archival of Empower data: the OpenLAB ECM Empower add-in and the OpenLAB ECM Scheduler. The OpenLAB ECM solution provides: Scheduling that monitors the Empower database for projects, sample sets, and results sets ready for archive. Archived data that can be searched and viewed without restoring it back to the Empower database. Archived data that can be included in reports produced using OpenLAB ECM Intelligent Reporter. Upload Empower Data Automatically The OpenLAB ECM Scheduler automates transfer of data to OpenLAB ECM per laboratory-specified schedules, minimizing the impact of centralized-data storage on end users. When monitoring selected computers, network drives, and folders, the OpenLAB ECM Empower add-in queries the Empower database for project data that meet pre-defined data criteria set by the user. Once it identifies the data to upload, the OpenLAB ECM Empower add-in exports the standard Empower archive file, extracts field values such as Experiment Set Info, Name, and Technique from the Empower Toolkit, and generates technology neutral files (TNF). The technology neutral representation of the data is generated in an industrystandard, publicly-available XML format that can be used to review, retrieve, and report data without restoring back to the Empower database. The technology neutral XML file is indexed and packaged as searchable metadata and then uploaded into OpenLAB ECM along with the Empower project archive file. View Empower Data Easily Once in OpenLAB ECM, the technology neutral XML files containing Empower data are available to view using the OpenLAB ECM TNF Viewer. As shown in Figure 1, when the user opens a Technology Neutral XML File, OpenLAB ECM TNF Viewer displays a complete XML representation of the data identical to the representation of the original Empower data. The OpenLAB ECM TNF Viewer allows users to navigate and drill-down to specific data sets including results, method and instrument information, and chromatograms without restoring data to the Empower database. When viewing a chromatogram, the user can zoom in and out of the areas of interest, apply annotation and color-coding, and overlay data from a different injection in the same archive file. While OpenLAB ECM supports the archive of 2-D and 3-D data, the TNF Viewer only supports viewing 2-D data. If data must be re-analyzed, it can be restored to the Empower database. Figure 1. The OpenLAB ECM TNF Viewer displays an XML representation of Empower data. The chromatographic trace can be zoomed, annotated, color-coded, and overlaid with traces from another sample injection. 2
Build Valuable Reports Efficiently Extracting valuable information from your data and consolidating it into reports facilitates decision-making. As shown in Figure 2, using OpenLAB ECM Intelligent Reporter, Empower data can be reported together with other data such as OpenLAB CDS data. With OpenLAB ECM support for Empower data, users no longer have to learn how to build reports for each system used. OpenLAB ECM Intelligent Reporter allows users to generate lab-wide reports across injections, sample sets, sequences, and projects. Sample information, peak results, calibration curves, chromatograms, and spectra generated by Empower can be reported per single workstation, across workstations, or across data systems without restoring data back to Empower. In addition, OpenLAB ECM Intelligent Reporter allows users to perform calculations without transferring their Empower results to other software such as Excel. Technical note Building valuable reports with your Waters Empower data 1 describes the reports that can be created using OpenLAB ECM Intelligent Reporter. Numerous examples are provided. Figure 2. Empower and OpenLAB CDS data shown together in the same report Technical note Connecting NWA Quality Analyst software to Agilent OpenLAB ECM Intelligent Reporter, 2 P/N 5991-5439EN, describes how to integrate OpenLAB ECM Intelligent Reporter with North West Analytics (NWA) Quality Analyst software. Northwest Analytics (NWA) Quality Analyst software offers advanced statistical functions to analyze chromatography data system (CDS) result data stored in OpenLAB ECM. 3
Configuring OpenLAB ECM for Empower Data Archival, Step-by-Step Define where the scheduler looks for data: The first step in the archival of Empower data is to define where the OpenLAB ECM Scheduler will look for project data. This task requires the user to log in and connect to the Empower database using their Empower login. Each time the scheduler runs, it will use this login. After logging in and connecting to the Empower database, the user selects the projects that will be searched for data meeting the specified upload criteria. Because the Empower project hierarchy is displayed during the configuration process, choosing the data to archive is easy. The upload options include: Select projects from the list of All projects. This option allows finding and selecting existing, or a subset of existing, projects (see Figure 3). Here all projects are selected for upload except those specifically excluded. Select projects By Name. This option allows finding and selecting specific projects. Filtering criteria such as project creation date, user-defined naming convention, and those set to a locked state in Empower can be applied to the selected project names. When the scheduled task runs, it only searches and uploads data from projects in the list (see Figure 4). Select projects By Criteria. This option allows finding and selecting existing projects or projects that have not yet been created based on filtering criteria such as project creation date, user defined naming convention and locked state in Empower. When the scheduled task runs, it searches and uploads data from any project that meets the specified criteria, whether or not it existed during the task definition (see Figure 5). Select all projects to upload data from Select specific projects to exclude Figure 3. Select projects from the list of All projects to find and select all existing projects. Specific projects may be excluded. 4
Figure 4. Select projects By Name is used to find and select existing projects based on their name. These projects can be filtered by criteria such as project creation date, user defined naming convention, and those set to a locked state in Empower. Figure 5. Select projects By Criteria to find and select existing projects, or projects not yet created, based on filtering criteria such as project creation date, user defined naming convention, and locked state in Empower. 5
Define how Empower project data will be archived: Once the Empower data to archive has been defined, the user then specifies how the Empower data within those selected projects will be uploaded. The data that can be archived can include the entire project, sample sets, or result sets. Figure 6 shows an example query designed to find sample sets within a selected project. Users can define whether or not to include processing and instrument methods (Figure 6) and spectral data (Figure 7). Define to generate files for viewing and reporting: To generate an upload file suitable for viewing, the user selects the Generate files for TNF Viewer option as shown in Figure 7. When this option is selected, an XML representation of the Empower data is generated in the AnIML file format. AnIML is an XML standard for representing analytical data developed by an ASTM-sponsored committee of analytical instrument manufacturers and customers. The Source Forge web site at < https://www.animl.org > provides more information about this file format. Figure 6. Example query designed to find sample sets within a selected project. To generate an upload file suitable for reporting, the user selects Generate files for OpenLAB ECM Intelligent Reporter (Figure 7). When this option is selected, an XML representation of the Empower data is generated in the ACAML format. ACAML is an Agilent defined format that is parsed into the OpenLAB ECM Intelligent Reporter database. Once the task has been configured to generate files for the TNF Viewer and OpenLAB ECM Intelligent Reporter, the AnIML and ACAML XML files are automatically uploaded to OpenLAB ECM. Figure 7. Task configuration options include archival of spectra, prefix project hierarchy, and generation of files for the TNF viewer for OpenLAB ECM Intelligent Reporter To generate a file for viewing, select the Generate files for TNF Viewer. To generate a file for reporting, select Generate files for OpenLAB ECM Intelligent Reporter. 6
Organize Empower data in OpenLAB ECM: Empower data is organized in a project hierarchy. If desired, instead of using the OpenLAB ECM structure, this Empower project hierarchy can be preserved when the data is archived in OpenLAB ECM. Figure 8 shows an example where four levels of Empower project hierarchy are mapped to the OpenLAB ECM hierarchy. If the user chooses to preserve the Empower hierarchy, each time the task runs, it will check the current OpenLAB ECM file hierarchy and create any new folders needed to match those within Empower. Duplicating the Empower data structure in OpenLAB ECM helps Empower users to quickly locate their data within a familiar organizational structure. Define when the upload task will run and how often: Automation of Empower data transfer to OpenLAB ECM requires configuration of the data archiving options and the task execution schedule. Upload tasks can be scheduled with any timing the laboratory needs, as many tasks as necessary can be defined, and each task can have its own schedule, whether it s every few minutes, or onceper-week. To streamline file maintenance, the OpenLAB ECM Scheduler can be configured to remove data from the Empower database immediately after upload, or some specific time after the last modification, creation, or upload date. As shown in Figure 9, the user defines when the task will run and how often, how quickly data will be picked up after it s generated, and whether or not to remove the data from the Empower database when the upload is complete. Data upload is based on when the data was collected by Empower. When Immediately is selected, each time the task runs, it will pick up all new or altered data. If Files older than is selected, only data that hasn t been modified in the timeframe specified is uploaded. Figure 8. Four levels of Empower project hierarchy mapped to the OpenLAB ECM file hierarchy. When a scheduled task has been configured to preserve the Empower project hierarchy, it recreates the structure in OpenLAB ECM. Figure 9. Empower data upload task configuration options include file upload and deletion scheduling. Once the Empower upload settings and task execution schedule have been defined, Empower data transfer to OpenLAB ECM requires no further user interaction. After the scheduled task runs, files containing all of the Empower database entries, including raw data files associated with the Empower sample sets, result sets, and projects that meet the criteria specified, are stored and available in OpenLAB ECM for easy review and powerful reporting. 7
Conclusion OpenLAB ECM provides an efficient solution to integrate the management of Empower data with the other data generated in the lab, making all data available when and where it s needed. Once in OpenLAB ECM, Empower data are secured, in a searchable, centralized, web-based repository, where they can be reviewed and reported without restoring them back to the Empower database. Using the Empower-specific OpenLAB ECM interface, laboratories can schedule automatic data transfer to OpenLAB ECM based on criteria meeting their unique needs. Automation ensures that there is no disruption of existing laboratory workflows or tedious error-prone manual tasks. OpenLAB ECM, together with OpenLAB ECM Intelligent Reporter, transforms disparate data into meaningful and actionable information. Additional Information 1. Agilent Technologies. Building valuable reports with your waters Empower data. 2012. Technical note P/N 5991-1642EN. http://www.agilent.com/cs/ library/technicaloverviews/public/ Empower_5991-1642EN_Technical_ Oveview.pdf 2. Agilent Technologies. Connecting NWA Quality Analyst software to Agilent OpenLAB ECM Intelligent Reporter. 2015. Technical note P/N 5991-5439EN. http://www.agilent. com/cs/library/applications/5991-5439en_spc_with_quality_analyst_ Setup_AppNote.pdf www.agilent.com/chem/openlab This information is subject to change without notice. Agilent Technologies, Inc., 2016 Published in the USA, May 13, 2016 5991-6931EN