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Releases: pgarrett-scripps/sage-plus

Sage Plus v0.1.0-beta.16

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@github-actions github-actions released this 08 Oct 14:58

First public launch release. Benchmarks against upstream Sage v0.15.0-beta.2 are in benchmarks/HEADTOHEAD.md. On four PXD028735 HYE files, Sage Plus found +1.2% PSMs and peptides and +1.6% protein groups at 1% FDR, used 6.2 GiB vs 7.5 GiB peak memory, and gave equal LFQ ratios.

Upgrading: search-space settings are now required (see Changed). Run sage --write-config list for starting configs.

Changed

  • Breaking: search-space settings must be stated. database.static_mods (may be {}),
    database.ion_kinds, and, when a FASTA is digested, database.enzyme with cleave_at,
    restrict, missed_cleavages and semi_enzymatic no longer have defaults. A missing setting
    is an error naming it, with a snippet to paste. The old implicit values were: no enzyme block =
    trypsin, 0 missed cleavages, restrict: "P"; partial block = 1 missed cleavage, restrict: "";
    no static mods; b and y ions. The JSON Schema marks the same fields required.
  • Committed configurations, tests and benchmark generators state these settings explicitly.

Added

  • sage --write-config <NAME> [PATH] writes a starting configuration: minimal, full,
    trypsin-hcd, trypsin-hcd-tmt, phospho, etd or nonspecific (list shows them).
    Without PATH it prints to standard output; an existing file is replaced only with
    --overwrite. Every preset is tested to pass validation.
  • "missed_cleavages": "unlimited" keeps every peptide within the length and mass limits.
  • "max_len": "unlimited" bounds peptide length only by peptide_max_mass and the 255-residue
    encoding limit. Sage logs one warning when it is combined with unlimited missed cleavages or a
    non-specific digest (cleave_at: "").
  • Startup logs, at info level, the defaults used for search-space settings left unset.

Fixed

  • The fragment index no longer panics past 4,294,967,295 fragments. Bucket offsets are 64-bit
    (24-byte buckets, one per up to bucket_size fragments), so the only index cap left is the
    32-bit peptide index inherited from Sage.

  • A missing input file or FASTA names the path: cannot open `/x/y.mzML`: No such file or directory. An output directory that cannot be created is named the same way.

  • A search whose database has no target peptides fails instead of exiting 0 with empty results.
    The error names the length and mass ranges in force. enzyme.min_len above max_len, or
    peptide_min_mass above peptide_max_mass, is rejected when the configuration is validated.

  • missed_cleavages above 254 no longer overflows. In a release build 255 wrapped and searched
    as 0 missed cleavages.

Removed

  • Telemetry. Sage Plus no longer sends run statistics to upstream Sage's endpoint, and the
    reqwest dependency is gone. --disable-telemetry-i-dont-want-to-improve-sage is still
    accepted as a hidden no-op so existing scripts keep working. Runner::run and
    run_with_summary return the RunSummary, and JobResult has no telemetry field.
  • min_free_memory_gb from seven benchmark configurations; Sage already ignored it.

Documentation

  • benchmarks/HEADTOHEAD.md: Beta 16 against upstream Sage v0.15.0-beta.2 on four PXD028735 HYE
    runs with one shared config. Sage Plus finds 1.2% more PSMs and peptides and 1.6% more protein
    groups at 1%, peaks at 6.2 vs 7.5 GiB, and matches upstream's LFQ species-ratio accuracy.
  • Initiator Met clipping re-measured on HEK SILAC: +3.4% PSMs at 1% when protein N-terminal
    acetylation is searched, +0.2% when it is not. README and DOCS state the condition.
  • README rewritten for new users: measured results, install options and a quickstart.
    Internal design notes moved to docs/design/ and old benchmark notes to benchmarks/archive/.

Full Changelog: v0.1.0-beta.15...v0.1.0-beta.16

Sage Plus v0.1.0-beta.15

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@github-actions github-actions released this 30 Sep 01:40

Sage Plus v0.1.0-beta.14

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@github-actions github-actions released this 28 Sep 09:41

Sage Plus v0.1.0-beta.13

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@github-actions github-actions released this 27 Sep 23:19

Sage Plus v0.1.0-beta.12

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@github-actions github-actions released this 27 Sep 20:42

Sage Plus v0.1.0-beta.11

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@github-actions github-actions released this 27 Sep 06:00

Sage Plus v0.1.0-beta.10

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@github-actions github-actions released this 26 Sep 04:19

What's Changed

Full Changelog: v0.1.0-beta.9...v0.1.0-beta.10

Sage Plus v0.1.0-beta.9

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@github-actions github-actions released this 25 Sep 06:55

What's Changed

Full Changelog: v0.1.0-beta.8...v0.1.0-beta.9

Sage Plus v0.1.0-beta.8

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@github-actions github-actions released this 24 Sep 06:44
f833361

What's Changed

Full Changelog: v0.1.0-beta.7...v0.1.0-beta.8

Sage Plus v0.1.0-beta.7

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@github-actions github-actions released this 23 Sep 23:58
22fd2c3

What's Changed

Full Changelog: v0.1.0-beta.6...v0.1.0-beta.7