Improve Guided MRMHR method creation functionalities


Improve Guided MRMHR method creation functionalities: 1. In automatic mode, use a step size of 1 or max. 2 V (instead of 5 V) for CE optimization. 2. When creating the MRMHR method, automatically add the compound name into the column "group" instead of "group 1". As compound ID, automatically set "compound name 1", "compound name 2" etc. instead of "compound name - transition". 3. Add a functionality similar to the "merge method script" known from Analyst (merge different MRMHR methods into one). 4. Possibility to run the optimisation of several compounds in a row. In routine analysis, usually the user needs to optimize not only one compound. It is very time-consuming to launch the optimization step for each single compound manually. 5. Usually, the mass accuracy slightly drifts during the optimization, especially if several compounds are optimized. Hence measured fragment masses which are then exported into the MRMHR method are not accurate. A tool which allows an easy and quick check of the theoretical masses would be great, e.g. a link to LV (once the fragment masses in LV are accurate).


0 Comments Oct 07, 2019 44 Views Product: SCIEX OS Software