MH Qual Analysis - best way of reviewing data after method run


In addition to my two previous questions, if I perform MFE + Search Compound (LB/DB/MFG) with MH Qua 10.0, what is the best way to review my results? 

When I get like 2000 compounds, opening with .d file (with load results) is very slow and takes a long time. Though I do expect. 

If I save the results to .cef files and then import the compound (File > Import Compound), is this the better option to open and review my data?

Much appreciate for any advice. Thank you in advance.

  • Hello  ,

    I apologize for the delayed response. 

    This is what I have discovered regarding the processing and loading of MFE data.

    In the Method Editor under Compound Discovery->Find by Molecular Feature there is a setting in the Results tab to Extract complete result set automatically.

    This is enabled by default. When enabled, it extracts the EIC, ECC, MFE Spectrum, raw spectrum, and anything else specified in the method for all compounds that are found. This can take some time if there are hundreds or thousands of compounds. If you disable this option, all compounds will be found and identified as usual, but the chromatograms and spectrum will only be extracted 'on demand' when you select a compound in the Compound list while in Compounds View. In Navigator View you must manually choose to extract the results using the right-click context menu item on a given compound. 

    There is also an option in the Find menu to Extract Complete Result Set. This will extract the result set for all compounds.

    Disabling this option can drastically reduce the time it takes to run an MFE workflow. Extracting the results on demand while browsing compounds does not appear to take a noticeable amount of time, at least for the data files I have worked with. 

    In addition to controlling the extraction behavior when running a workflow, it also appears to control the behavior when opening a data file and choosing to Load result data. If the currently loaded method in Qual has this option enabled, when you open a data file with saved MFE data it will extract the results for all compounds that were saved. Just like doing this in the workflow, it can take a very long time. However, if this option is disabled, then the compounds are loaded, but result set extraction will only occur on demand or when manually extracted. This can significantly reduce the time it takes to open a file with saved MFE data.

    Saving the results as a .cef file and then importing is fairly fast, but only limited information is saved and brought back in, so the best thing to try would be disabling the option to Extract complete result set and see if this provides an improvement with loading and data review times. 

Was this helpful?