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mz values are not increasingly ordered in database #2

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jorainer opened this issue Aug 3, 2022 · 1 comment
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mz values are not increasingly ordered in database #2

jorainer opened this issue Aug 3, 2022 · 1 comment

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@jorainer
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jorainer commented Aug 3, 2022

Need to order peaks for each spectrum in increasing order.
@jorainer
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jorainer commented Aug 4, 2022

There are two possibilities:

  1. use a query order by MZ, but this would require the m/z values to be stored as numeric values instead of text values.
  2. for each peak variable get in addition the m/z values and order the data in R.

There would be two possibilities for the second approach: order the full data frame before splitting by spectrum or iterating through the peak matrices and order each spectrum separately.

jorainer added a commit that referenced this issue Aug 4, 2022
@jorainer
fix: add option to force ordering by mz
1c25de7 
- By default peaks are ordered by m/z value (issue #2).
- Add option that disables ordering.
@jorainer jorainer closed this as completed Aug 4, 2022
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