Justin Sing

Results 21 issues of Justin Sing

Is it possible to pickle an **MSExperiment** object or a **MSSpectrum **object, specifically so that they can be parallelized? I'm interested in performing some parallel processing on either the **MSExperiment**...

Added `keep_naked_peptides` flag to the filter module to allow the user to add a list of strings of peptides to specifically filter for these peptides only. Added for sqMass and...

Added CLI module to split a merged osw back into their individual runs. Useful if you want to work with smaller individual files.

**Describe the bug** Installing massdash through bioconda fails on a fresh windows install. Pip install works fine. ``` (massdash) C:\Users\justi>conda install -c conda-forge -c bioconda massdash Collecting package metadata (current_repodata.json):...

bug

Current implementation for averaging, median and percentile_averaging consensus chromatograms can be found here: [chromatogram_data_handling.py#L246](https://github.com/Roestlab/massseer/blob/dev/massseer/chromatogram_data_handling.py#L246)

refactor

![image](https://github.com/Roestlab/massdash/assets/32938975/4637a416-355c-4036-bece-d3fab6c4cb4e) 2D plotting seems to fail with m/z vs retention time for DIA data. Could be the sparsity when trying to equalize.

bug

Currently the targeted extraction in [MzMLDataAccess.py](https://github.com/Roestlab/massdash/blob/dev/massdash/loaders/access/MzMLDataAccess.py) uses pyOpenMS to access the data, but all the extraction / filtering of spectra is done in python. Expose or use extraction methods from...

refactor

It would be nice to have an argument to the gui that allows passing a config file with desired workflow and files, so that the application automatically loads require workflow...

Streamlist's dataframe cannot handle large dataframes, which is a known issue because of how they send data. See: https://github.com/streamlit/streamlit/issues/517 ``` ValueError: Message ForwardMsg exceeds maximum protobuf size of 2GB: 2763555001...

Add extraction shaded box to show extraction windows, similar to skyline. Add an optional extra amount to extraction windows of data to extract for this to make sense/usability. Current extraction,...