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Currently, eventual isotopes cannot be annotated #144

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Adafede opened this issue Jul 1, 2024 · 3 comments
Open

Currently, eventual isotopes cannot be annotated #144

Adafede opened this issue Jul 1, 2024 · 3 comments
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feature a feature request or enhancement

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@Adafede
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Adafede commented Jul 1, 2024

Is your feature request related to a problem? Please describe.
I'm always frustrated when I know a fragmented species corresponds to, for example, [+1M+H]+ instead of [M+H]+ but I cannot take this information into account

Describe the solution you'd like
In such case, shift the masses for both MS1 and MS2 annotations.

Describe alternatives you've considered
Not allowing such weird things and fragment the correct species instead

Additional context
Try to look at the best notation for such species

@Adafede Adafede added the feature a feature request or enhancement label Jul 1, 2024
@Adafede Adafede self-assigned this Jul 1, 2024
@Adafede
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Adafede commented Jul 1, 2024

Also linked to #141

Adafede added a commit that referenced this issue Jul 2, 2024
Adafede added a commit that referenced this issue Jul 2, 2024
Adafede added a commit that referenced this issue Jul 2, 2024
Adafede added a commit that referenced this issue Jul 2, 2024
Adafede added a commit that referenced this issue Jul 2, 2024
@Adafede
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Adafede commented Jul 8, 2024

Should be done, just needs checks with actual examples

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Adafede commented Jul 23, 2024

Linked to HUPO-PSI/mzTab#211

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