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lgatto avatar lgatto commented on August 17, 2024 1
  • Brief intro on how MS works
  • Raw MS data (linked to the how MS works section)
  • MS quantitation: MS1 vs MS2, label-free vs labelled
  • Peptide identification and protein inference
  • Proteomics data processing overview
  • Some packages of interest (summary of above, could be joined for proteomics/metabolomics)

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lgatto avatar lgatto commented on August 17, 2024 1

LC-MS is included in LC-MSMS, so yes, I fill address it. I also intend to talk about different ways to quantify MS data, including XICs. Best is probably for you to have your material at hand in case you need to clarify a few concepts, and/or amend my material once it's up.

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lgatto avatar lgatto commented on August 17, 2024

In principle, I'm fine with splitting the lecture, but let's set up a table of content of the different topic that should be covered to (1) make sure there is no overlap/repetition and (2) get the time splitting right. I'll start some topics in the next post, under this issue - please add your topics and amend as appropriate.

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jorainer avatar jorainer commented on August 17, 2024

had the timings wrong above, 35 + 20 is 55 mins ;) think I could reduce mine down to 15.

Title would be:
Metabolomics data analysis with Bioconductor

  • Short intro into metabolomics
  • Short LCMS intro
  • LCMS-based data pre-processing
    • Chromatographic peak detection
    • Sample alignment
    • Correspondence

This would describe in brief the topics of the (metabolomics part from the) afternoon workshop.

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lgatto avatar lgatto commented on August 17, 2024

It looks like Short LCMS intro and Brief intro on how MS works are overlapping. In my case, I would also introduce MSMS, but otherwise, I expect the content to be equivalent. My goal is to clarify how the data in an MSnExp related to what happens in the mass spec.

Are you happy with me presenting this for both of us, making sure that you add any parts that are essential for the metabolomics part?

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jorainer avatar jorainer commented on August 17, 2024

Fine for me if you include also the LCMS part. I had it only very very short (see also https://github.com/Bioconductor/CSAMA/blob/2017/lecture/4-thursday/lecture-14b-Metabolomics/Metabolomics.org) - eventually I'd then just keep the LCMS image to emphasize that in metabolomics we aim to identify chromatographic peaks in contrast to mass peaks.

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jorainer avatar jorainer commented on August 17, 2024

Fine for me. I try to keep my part as simple and short as possible (I'll not add additional things/slides - if at all I will shorten it).

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