quantmsio and thermorawfileparser

[ypriverol]

We have a schema for mz data, which is similar to @lazear representation issue #57. We are moving thermorawfileparser to dotnet and it would be great to take the opportunity to include this parquet representation on it. I recommend the following roadmap:

• Get approval from everyone about the parquet format @timosachsenberg @mobiusklein @lazear @daichengxin @zprobot .
• Update the PR in Thermorawfile parser to export to the version of the format.
• benchmark with raw and mzML, the format with different dataset sizes for the following variables:
  • compression.
  • data retrieval,
  • data writing.

[lazear]

I have a (private) fork of TRFP that already writes the mz_parquet format, which I am happy to contribute

[ypriverol]

That is fantastic, I think the best way is to contribute to the new dotnet we are creating https://github.com/compomics/ThermoRawFileParser/tree/dotnetcore. Dotnet is now the platform for the new MSReader, that I think is better to base everything against that. What do you think?

[lazear]

Should be easy enough, I have it on dotnet 7 right now.

[ypriverol]

@lazear if you can modify that branch with the parquet implementation making sure it matches your specification and quantms.io specification. I can try to trigger the benchmark.

[timosachsenberg]

Cool. FYI I started playing around with ways to store both spectra and chromatograms in
e.g., a single parquet file. This is mainly intended to look at some potential ways forward with the HuPO PSI mzNext initiative. Once the white paper with the requirements are published I will give this a closer look.
https://github.com/timosachsenberg/mzNext-POC

[ypriverol]

Should be easy enough, I have it on dotnet 7 right now.

@lazear would be cool to merge your branch with this branch in TRFP https://github.com/compomics/ThermoRawFileParser/tree/dotnetcore

[lazear]

So it turns out that what I have is not a fork of TRFP but a separate implementation in C#. Let me see if I can adapt it

[ypriverol]

That would be great, we are trying to work to release a new dotnet version of TRFP.

[lazear]

CompOmics/ThermoRawFileParser#188

[ypriverol]

@lazear, thanks for the PR. Last time we discussed mz_parquet and the alignment between your representation in mz_parquet and quantms.io representation (which I decided to adopt yours), you mentioned you have a private version. will be trying to push to update the representation. My question is: Is the TRFPe the latest version of the mz_parquet definition?

[lazear]

Yes, this is the most recent version.