Error during summarization

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Wonder Nxumalo

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Oct 1, 2023, 2:59:40 AM10/1/23
to MSstats
Hi Everyone,

I'm trying to process Spectronaut data with MSstatsShiny. We've created a schema with modified column names, similar to MSstats format. I can upload the data but when I try to process it, I get this error, please see the attached image. I'm using the MSstats format option during data uploading as the columns are already renamed to include the annotation, and the correct bio replicates and condition can be read after uploading the data. Also, on the protein name I have multiple accession numbers separated by a semicolon, could it be possible that the error is caused by this?

Looking forward to your feedback and suggestions.
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Devon Kohler

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Oct 3, 2023, 9:14:24 AM10/3/23
to MSstats
Hello,

From looking at your screenshots, I think there may be an issue in the Spectronaut input data. You can see the intensity range says 0-0 and the intensity column is "PrecursorMz", when it should show "Intensity". Can you double check that your data matches the following example in MSstats?

```
spectronaut_raw = system.file("tinytest/raw_data/Spectronaut/spectronaut_input.csv",
                              package = "MSstatsConvert")
head(spectronaut_raw)
```

Devon
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