One of the most powerful features of GC/ID 3.0 is the color coding of results to show at a glance, which compounds are likely correct identifications, and which are marginal or poor. This is shown by color coding blue, for high confidence, yellow for medium and red for low. The “Magic” is based on an elegant algorithm that evaluates the NIST Forward and Reverse Search values, the Retention Index (RI) match values (RIFit), and the Spectral Accuracy values (formula identification confidence values) from both the molecular ion, if available, and/or the expected fragment ions. If you do not have accurate mass data, the spectral accuracy values (for example centroid data) are ignored and the match confidence is based on the two Search metrics and the Retention Index match.
Magic Highlighter can dramatically accelerate the review process for the analyst, saving time and improving the quality of the results. Sorting through the various ID metrics, while powerful, can be overwhelming but by allowing the computer to automatically sort through the vast amount makes confident identification a breeze. The user can easily choose the correct match from the Hit list and promote it to the top of the Hit list along with any notes on the decision making process.
One of the many powerful features of MassWorks Rx GC/ID.
Find out more from the MassWorks Rx GC/ID brochure.