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ElucidataInc / ElMaven

LC-MS data processing tool for large-scale metabolomics experiments.
https://resources.elucidata.io/elmaven/
GNU General Public License v2.0
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Natural Abundance Correction #975

Open scobbold opened 5 years ago

scobbold commented 5 years ago

Hi all,

As a long-time user of MAVEN, the natural abundance correction option never seemed to actually alter the CSV output from any list of defined metabolites. I was wondering if you were aware of this potential problem.

In addition, when manually bookmarking peaks/metabolites of interest, El Maven no longer seems to extract out the associated isotopologue data as MAVEN does. So you cannot create a small manual metabolite list with the isotope-labelling data with it.

shubhra-agrawal commented 5 years ago

@scobbold Thanks for reaching out to us.

El-MAVEN retains the functionality for reporting isotopologues. You may go to the Peaks dialog and switch on Report Isotopic Peaks to extract the list of isotopologues for both manual and automated peak detection. This switch will be turned on by default in the next release of El-MAVEN and eventually moved out of the Peaks dialog for better accessibility. You can choose your labels from the Options dialog under the Isotope Detection tab just like MAVEN.

As for NA correction, it does not work in El-MAVEN and will soon be removed from the application. Here's a link to the thread where this decision was made. Please take a look.

Our support team will contact you soon regarding other options for NA correction based on your specific requirements.

shubhra-agrawal commented 4 years ago

@scobbold Following up on this thread. Were you able to run isotopic analysis in El-MAVEN? If you are still running into issues, please email us at elmaven@elucidata.io and we'll be happy to help.