stefanks

Results 10 issues of stefanks

- [x] MsConvert - [x] SeeMs Need to: - [x] Write chromatogram - [x] Write Indexed mzml

bug

Same masses should have same intensities and same elution times. The ones that do (with some tolerance) are considered to be real. Others considered to be wrong. Do machine learning...

FILE: 12-10-16_A17A_yeast_BU_fract5_rep1-Calibrated.mzML VALIDATION MESSAGE: (1) Non-fatal XML Parsing error detected on line 13, (2) Non-fatal XML Parsing error detected on line 48, (3) Error message: cvc-datatype-valid.1.2.1: '12-10-16_A17A_yeast_BU_fract5_rep1-Calibrated' is not a...

bug

In case there are two peaks within the deconvolution tolerance, the single spectrum deconvolution picks the nearest one to the theoretical, instead of the one that matches the expected intensity...

bug

N-term Acetyl, and Acetyllysine should fall under the same actylations category

## Driver version 2.1.0 ## Redshift version PostgreSQL 8.0.2 on i686-pc-linux-gnu, compiled by GCC gcc (GCC) 3.4.2 20041017 (Red Hat 3.4.2-6.fc3), Redshift 1.0.63269 ## Client Operating System macOS 14.2.1 (23C71)...

Hopefully solves https://github.com/aws/amazon-redshift-python-driver/issues/214