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iSanXoT-1.2.13
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@jmrodriguezc jmrodriguezc released this 08 Jul 12:58
· 21 commits to master since this release
1.2.13
4f8a418 
DATE: 2024_07

Highlights

  • New version for the ProteinAssigner (v5). In this version, the changes are:

    • The parameter file has been transformed to INI format. This change was made because the ProteinAssigner is integrated into the PTM-workflow, and a consensus parameter file with the same format is required.
    • A preliminary filter for redundant proteins identified has been developed. This filter is applied before any other operation by the ProteinAssigner.

  • New version of klibrate (v1.20):

    • Savitzky-Golay algortihm for smoothing has been included.

  • Fixing a bug in the mz extraction for experiments with high resolution (greater than 30K), in the Quant package.

Changes in the Graphical User Interface

  • Updated documentation.

  • Modify the CNIC adapter to accept the new version of ProteinAssigner, which includes the preliminary filter.
    A new parameter has been added: "Preliminary Regex filter before any operation", applicable in both FASTA and column modes.

Changes in the Code Workflow

  • Fixing a bug in reporter:

    • The X'inf and Winf variable are retrieved correctly.
    • Possible bug caused by dictionaries in Python.

  • Fixing a bug in the mz extraction for experiments with high resolution (greater than 30K), in the Quant package.

  • New version of klibrate (v1.20) has been developed:

    • Savitzky-Golay algortihm for smoothing has been applied. New parameters have been added:
   -S, --no-smoothing  Do not apply the Savitzky-Golay smoothing algorithm. It 
                       is applied by default.
   -t, --smoothing-window
                       The window size for the Savitzky-Golay smoothing 
                       algorithm. A larger window size will result in stronger 
                       smoothing. The window length must be less than or equal 
                       to the size of input. By default is length of integrated elements.
   -T, --smoothing-polynomial
                       The polynomial order for the Savitzky-Golay smoothing 
                       algorithm to fit the samples. A higher polynomial order 
                       can capture more complex patterns but may also introduce 
                       more artifacts.
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