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Update file-handling.md #258

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@anjag01 anjag01 commented May 9, 2025

added subsection compression of mzML files

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Summary by CodeRabbit

  • Documentation
    • Added a new section detailing support for writing compressed mzML files with the .mzML.gz extension.
    • Provided usage examples and explained compression methods, performance considerations, and compatibility notes for downstream tools.

added subsection compression of mzML files
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coderabbitai bot commented May 9, 2025

Walkthrough

A new documentation section was added to explain the support for writing compressed mzML files using the .mzML.gz extension in TOPP tools. The section details compression methods, usage examples, threading behavior, and considerations for downstream compatibility. No changes were made to code or public interfaces.

Changes

File(s) Change Summary
docs/getting-started/types-of-topp-tools/file-handling.md Added documentation section on "Compression of mzML files," describing new support, usage, threading, and trade-offs.

Poem

In the garden of docs, a new sprout appears,
Compressed mzML files, reducing storage fears.
With pigz or Boost, the data flows tight,
Saving space and time, from morning to night.
A hop, a skip, efficient and neat—
Now OpenMS tools make compression sweet! 🐇✨


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Actionable comments posted: 0

🧹 Nitpick comments (4)
docs/getting-started/types-of-topp-tools/file-handling.md (4)

38-41: Use fenced code blocks for command examples

To improve readability and consistency with other TOPP tool examples (which use fenced code blocks), wrap the example invocation in a fenced block. This also enables syntax highlighting if needed.

- `PeakPickerHiRes -in input.mzML -out output.mzML.gz -threads 8`
+ ```bash
+ PeakPickerHiRes -in input.mzML -out output.mzML.gz -threads 8
+ ```

42-42: Wrap tool names and flags in backticks and simplify the sentence

For clarity and consistency, code elements like pigz, Boost's gzip, -threads 8, and omp_get_max_threads() should be formatted as inline code. Also, consider breaking the long sentence into two for readability.

- Compression uses pigz (parallel gzip) if installed for faster performance, falling back to Boost's gzip otherwise. When using pigz, OpenMS limits threads to the user-specified value (e.g., -threads 8) via omp_get_max_threads(), ensuring compatibility with cluster schedulers. Install pigz for optimal speed.
+ Compression uses `pigz` (parallel gzip) if installed, falling back to Boost's gzip otherwise. For `pigz` users, OpenMS limits threads to the user-specified value (e.g., `-threads 8`) via `omp_get_max_threads()` to maintain compatibility with cluster schedulers.
+
+ Install `pigz` for optimal speed.

44-47: Convert trade-offs into a bullet list and improve formatting

Presenting the trade-offs as a list enhances scannability. Also, wrap file extensions and tool names in backticks and consider using an en dash and multiplication symbol for clarity.

- Trade-offs:
-
- Efficiency: .mzML.gz files are 2-3x smaller; pigz is significantly faster but CPU-intensive.
- Compatibility: Ensure downstream tools support .mzML.gz.
+ Trade-offs:
+ - **Efficiency**: `.mzML.gz` files are 2–3× smaller; `pigz` is significantly faster but CPU-intensive.
+ - **Compatibility**: Ensure downstream tools support `.mzML.gz`.

49-49: Format class and method names as code

Wrap MzMLHandler::writeTo in backticks to indicate code references and improve consistency.

- This feature, integrated into MzMLHandler::writeTo, supports indexed mzML and enhances data management.
+ This feature, integrated into `MzMLHandler::writeTo`, supports indexed mzML and enhances data management.
📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL
Plan: Pro

📥 Commits

Reviewing files that changed from the base of the PR and between 76cf840 and cef9a99.

📒 Files selected for processing (1)
  • docs/getting-started/types-of-topp-tools/file-handling.md (2 hunks)
🧰 Additional context used
🪛 markdownlint-cli2 (0.17.2)
docs/getting-started/types-of-topp-tools/file-handling.md

36-36: Heading style
Expected: setext; Actual: atx

(MD003, heading-style)

@anjag01 anjag01 marked this pull request as draft May 12, 2025 10:41
added a subsection for the compression of mzML files
@anjag01 anjag01 marked this pull request as ready for review May 31, 2025 09:48
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Actionable comments posted: 0

🧹 Nitpick comments (4)
docs/getting-started/types-of-topp-tools/file-handling.md (4)

38-40: Use fenced code block for CLI example
For better readability, convert the inline backtick-wrapped command into a fenced code block with a language hint:

PeakPickerHiRes -in input.mzML -out output.mzML.gz -threads 8

42-42: Clarify threading behavior description
The phrase “limits threads to the user-specified value via omp_get_max_threads()” may confuse readers. Consider rephrasing to explain that OpenMS sets pigz’s thread count to the value passed with -threads (e.g., by setting OMP_NUM_THREADS) to avoid over-subscription.


44-49: Convert trade-offs to a bulleted list
For consistency and improved readability, format the trade-offs section as a Markdown list:

Trade-offs:
- **Efficiency**: `.mzML.gz` files are 2–3× smaller; pigz is significantly faster but CPU-intensive.
- **Compatibility**: Ensure downstream tools support `.mzML.gz`.

42-43: Add pigz installation guidance
To help users enable optimal performance, include a link or example install command for pigz, for example:

# Debian/Ubuntu
sudo apt-get install pigz

# macOS (Homebrew)
brew install pigz
📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL
Plan: Pro

📥 Commits

Reviewing files that changed from the base of the PR and between cef9a99 and d393670.

📒 Files selected for processing (1)
  • docs/getting-started/types-of-topp-tools/file-handling.md (2 hunks)
🧰 Additional context used
🪛 markdownlint-cli2 (0.17.2)
docs/getting-started/types-of-topp-tools/file-handling.md

36-36: Heading style
Expected: setext; Actual: atx

(MD003, heading-style)

🔇 Additional comments (1)
docs/getting-started/types-of-topp-tools/file-handling.md (1)

36-37: Heading style consistency OK
The new "Compression of mzML files" section uses the same ATX (##) heading style as other second-level headings in this file. No change needed.

🧰 Tools
🪛 markdownlint-cli2 (0.17.2)

36-36: Heading style
Expected: setext; Actual: atx

(MD003, heading-style)

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