chrispook
/ mzML_batch_RT_adjustment.ipynb
Last active
April 30, 2024 21:39
This script duplicates all the mzML files in a folder with a fixed RT adjustment for every scan.
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chrispook
/ troubleshooting_skimage_EllipseModel-SciPy_orthogonal_version.ipynb
Created
January 25, 2023 09:19
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chrispook
/ troubleshooting_skimage_EllipseModel.ipynb
Created
January 25, 2023 09:16
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chrispook
/ MSDIAL_alignment_to_dfs.py
Created
December 19, 2022 23:38
parse an MS-DIAL alignment text file to dfs called qual, quant, file_props and annotation using pandas
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| # parse MS-DIAL alignment to dfs called qual, quant, file_props and annotation | |
| # each one has the Alignment ID as index | |
| # Written by Chris Pook, drchrispook@gmail.com | |
| # licensed as Attribution-NonCommercial-ShareAlike 3.0 New Zealand (CC BY-NC-SA 3.0 NZ) | |
| # https://creativecommons.org/licenses/by-nc-sa/3.0/nz/ | |
| import glob, os, re, pytz | |
| import pandas as pd |
chrispook
/ parse_MS-DIAL_alignment_to_qual&quant_dfs.ipynb
Last active
November 8, 2022 05:07
Jupyter Notebook file that will load an MS-DIAL alignment and parse the qualitative and quantitative data to separate pandas dataframes
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