#Chromatogram viewer openlynx report software#

The report generated records the mass of the target peak on completion of the purification and identifies the rack location of the fraction containing the compound. The purification data generated in FractionLynx are automatically printed to the SDMS in real time, injection by injection in this way, the medicinal chemist can watch the purification in progress, know when it is completed, and see that none of the target compound is lost. Figure 2 illustrates a purification run in which an evaporative light-scattering detector (ELSD) is used to quantify the mass of a compound being collected and in which a UV detector monitors the waste stream. If a medicinal chemist, instead of a purification expert, insists on performing the purification, it can cost as much as ten-fold more in scientist time. Trust within a drug discovery group is especially critical with regard to the purification of experimental compounds. Immediate visualization of Open Access LC-MS data via SDMS Vision. Ongoing support for maintenance of instruments and training as well as ongoing communication are essential.ДЇigure 1. All processed data are printed into SDMS and available for immediate viewing. A laboratory using OA should be fully integrated in terms of capabilities, location, and electronic delivery of results, as is the case for all chemistry-related data at Lundbeck, regardless of hardware/software source. OpenLynx, used in Open Access (OA) mode, automatically prints the chromatographs and accompanying computational analyses to SDMS.

The results from both detectors are depicted on one screen for ease of comparison (Figure 1). The use of dual UV detectors improves the overall quality of science it increases the dynamic range and reduces the need to adjust sample concentration. Medicinal chemists and compound management groups use LC-MS to determine and verify the molecular weight and purity of compounds. At Lundbeck, these analytical systems feed data into three main informatics platforms: Empower, used mainly for quantitative analysis and LC peak integration MassLynx, for applications related to mass spectrometry and NuGenesisВ® Scientific Data Management System (SDMS), which makes data readily viewable and was the conduit for transferring data from multiple instruments to the ELN. These functions encompass a broad range of analytical techniques, including liquid chromatography/mass spectrometry (LC-MS), supercritical fluid chromatography (SFC)/MS, gas chromatography (GC)/MS, MS-MS, automated pH (pKa)/Karl Fischer (water content) titration, and nuclear magnetic resonance (NMR). The drug discovery analytical group at Lundbeck employs multiple tools and methods to determine the composition, structure, and purity of drug compounds measure physico-chemical/ADME properties perform mechanistic and other complex bioanalyses and evaluate the solubility, stability, and other characteristics of drug compounds in various formulations. The project also provided an opportunity to improve data organization, workflow efficiency, and transparency. The vision was to create bidirectional pipelines for analytical data to flow to/from the ELN and proprietary corporate compound/ pharmacology databases and to have these pipelines in place before deployment of the ELN. The overall objective of this project was to gain efficiency by linking analytical data to chemistry and biology via electronic laboratory notebook (ELN) systems while they were in the process of being deployed.

#Chromatogram viewer openlynx report software#

Part II describes the selection and implementation of software tools, their integration into an efficient and effective informatics network, and the outcomes and lessons learned. Part I of this article (Lab Manager Magazine, June 2012, вЂњBuilding Transparency- A Top-Down ViewвЂќ) presented the underlying principles and main objectives of this project. A willingness to embrace transparency is critical to the success of an organization, and an open environment in which data are readily shared and reviewed and in which the quality of the science is of utmost importance nurtures a corporate culture built on transparency and trust. The goal of an informatics project implemented in the drug discovery analytical group at Lundbeck Research was to gain efficiencies and productivity by increasing transparency, improving data quality, and building trust.