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Test pull request - #19

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mbiletska wants to merge 11 commits into
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Test pull request#19
mbiletska wants to merge 11 commits into
bigbio:mainfrom
mbiletska:main

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@mbiletska

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Hi,
My name is Maryna, and I created an SDRF annotation for PXD009172.
The file was validated using the SDRF Validator and manually reviewed against the associated publication.
Thanks!

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coderabbitai Bot commented Jun 16, 2026

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Fix age metadata format in PXD009172 SDRF

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Pull request overview

Adds a new SDRF annotation file for ProteomeXchange dataset PXD009172 under the repository’s datasets/ collection, expanding the set of curated, validator-ready SDRF TSVs for downstream parsing/validation workflows.

Changes:

  • Added datasets/PXD009172/PXD009172.sdrf.tsv containing sample- and run-level metadata for PXD009172.
  • Populated key MS acquisition, instrument, digestion, tolerance, and modification metadata columns for 21 assays.

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Comment thread datasets/PXD009172/PXD009172.sdrf.tsv Outdated
Comment on lines +1 to +22
source name characteristics[organism] characteristics[organism part] characteristics[anatomical entity] characteristics[disease] characteristics[phenotype] characteristics[biological replicate] characteristics[age] characteristics[sex] characteristics[TDI score] characteristics[protein concentration] assay name technology type comment[proteomics data acquisition method] comment[label] comment[instrument] comment[cleavage agent details] comment[fragment mass tolerance] comment[precursor mass tolerance] comment[modification parameters] comment[modification parameters] comment[fraction identifier] comment[technical replicate] comment[data file] factor value[disease]
sample_1 Homo sapiens nasal mucus olfactory cleft idiopathic olfactory disorder hyposmia 1 51Y male 17.25 0.17 ug/uL run_1 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-10_2108170805.raw idiopathic olfactory disorder
sample_2 Homo sapiens nasal mucus olfactory cleft idiopathic olfactory disorder hyposmia 2 55Y male 22 0.67 ug/uL run_2 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-11_2108171417.raw idiopathic olfactory disorder
sample_3 Homo sapiens nasal mucus olfactory cleft idiopathic olfactory disorder anosmia 3 51Y male 12.25 0.24 ug/uL run_3 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-12_2108172030.raw idiopathic olfactory disorder
sample_4 Homo sapiens nasal mucus olfactory cleft idiopathic olfactory disorder anosmia 4 66Y male 12 0.42 ug/uL run_4 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-13_2208170242.raw idiopathic olfactory disorder
sample_5 Homo sapiens nasal mucus olfactory cleft idiopathic olfactory disorder hyposmia 5 24Y male 26.25 0.22 ug/uL run_5 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-16_2208171308.raw idiopathic olfactory disorder
sample_6 Homo sapiens nasal mucus olfactory cleft idiopathic olfactory disorder anosmia 6 57Y male 17.25 0.59 ug/uL run_6 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-17_2208171921.raw idiopathic olfactory disorder
sample_7 Homo sapiens nasal mucus olfactory cleft idiopathic olfactory disorder anosmia 7 60Y male 14 0.15 ug/uL run_7 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-18_2308170132.raw idiopathic olfactory disorder
sample_8 Homo sapiens nasal mucus olfactory cleft post-infectious olfactory disorder anosmia 1 57Y female 14.25 0.82 ug/uL run_8 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-19_2308170745.raw post-infectious olfactory disorder
sample_9 Homo sapiens nasal mucus olfactory cleft post-infectious olfactory disorder hyposmia 2 51Y male 22 0.61 ug/uL run_9 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-1_1808171541.raw post-infectious olfactory disorder
sample_10 Homo sapiens nasal mucus olfactory cleft post-infectious olfactory disorder anosmia 3 39Y male 9.25 0.52 ug/uL run_10 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-20_2308171811.raw post-infectious olfactory disorder
sample_11 Homo sapiens nasal mucus olfactory cleft post-infectious olfactory disorder hyposmia 4 59Y female 26.5 0.22 ug/uL run_11 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-21_2408170024.raw post-infectious olfactory disorder
sample_12 Homo sapiens nasal mucus olfactory cleft post-infectious olfactory disorder hyposmia 5 57Y female 24.25 0.96 ug/uL run_12 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-22_2408170636.raw post-infectious olfactory disorder
sample_13 Homo sapiens nasal mucus olfactory cleft post-infectious olfactory disorder anosmia 6 71Y male 14.25 0.23 ug/uL run_13 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-23_2408171248.raw post-infectious olfactory disorder
sample_14 Homo sapiens nasal mucus olfactory cleft post-infectious olfactory disorder anosmia 7 60Y male 16 0.64 ug/uL run_14 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-2_1808172157.raw post-infectious olfactory disorder
sample_15 Homo sapiens nasal mucus olfactory cleft normal normosmia 1 33Y female 36.5 0.54 ug/uL run_15 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-3_1908170409.raw normal
sample_16 Homo sapiens nasal mucus olfactory cleft normal normosmia 2 23Y female 35.25 0.59 ug/uL run_16 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-4_1908171022.raw normal
sample_17 Homo sapiens nasal mucus olfactory cleft normal normosmia 3 29Y male 35 0.05 ug/uL run_17 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-5_1908171634.raw normal
sample_18 Homo sapiens nasal mucus olfactory cleft normal normosmia 4 28Y female 32 0.66 ug/uL run_18 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-6_2008170301.raw normal
sample_19 Homo sapiens nasal mucus olfactory cleft normal normosmia 5 56Y female 35.25 0.27 ug/uL run_19 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-7_2008170914.raw normal
sample_20 Homo sapiens nasal mucus olfactory cleft normal normosmia 6 35Y female 34.75 1.03 ug/uL run_20 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-8_2008171526.raw normal
sample_21 Homo sapiens nasal mucus olfactory cleft normal normosmia 7 35Y female 32 0.46 ug/uL run_21 proteomic profiling by mass spectrometry data-dependent acquisition label free sample Orbitrap Velos Pro NT=Trypsin;AC=MS:1001251 0.5 Da 4.5 ppm NT=Oxidation;AC=UNIMOD:21;TA=M;MT=variable NT=Carbamidomethyl;AC=UNIMOD:4;TA=C;MT=fixed 1 1 TOM_20170731_Nasenschleim-9_2008172138.raw normal

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Thanks for the PXD009172 annotation, @mbiletska! The SDRF passes parse_sdrf validate-sdrf structurally, the 21 sample rows map cleanly to the actual .raw files in the PRIDE record, and the search parameters (Trypsin, fixed Carbamidomethyl, variable Oxidation, 4.5 ppm precursor / 0.5 Da fragment) match the publication's methods. Nice work anchoring it to the source.

A few issues to address before merge (details inline):

  1. .DS_Store committed — a macOS artifact was added at the repo root; please remove it and consider adding it to .gitignore.
  2. Instrument — listed as Orbitrap Velos Pro, but the PRIDE record and the paper (PMID: 30510230) say LTQ Orbitrap Velos (a different PSI-MS instrument). Recommend NT=LTQ Orbitrap Velos;AC=MS:1001742, which also matches the NT=...;AC=... format used by every other file in the repo.
  3. Missing comment[sdrf version] / comment[sdrf template] — present in 307/308 existing files; please add them for consistency.
  4. Minor — the two olfactory-disorder disease labels trigger ontology warnings (not errors); see the inline note.

Items 1–3 are worth fixing; 4 is optional. Happy to help once updated.


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Comment thread .DS_Store
Comment thread datasets/PXD009172/PXD009172.sdrf.tsv Outdated
Comment thread datasets/PXD009172/PXD009172.sdrf.tsv Outdated
@@ -0,0 +1,22 @@
source name characteristics[organism] characteristics[organism part] characteristics[anatomical entity] characteristics[disease] characteristics[phenotype] characteristics[biological replicate] characteristics[age] characteristics[sex] characteristics[TDI score] characteristics[protein concentration] assay name technology type comment[proteomics data acquisition method] comment[label] comment[instrument] comment[cleavage agent details] comment[fragment mass tolerance] comment[precursor mass tolerance] comment[modification parameters] comment[modification parameters] comment[fraction identifier] comment[technical replicate] comment[data file] factor value[disease]

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Missing comment[sdrf version] and comment[sdrf template] columns.

307 of the 308 existing dataset files in this repo include these two trailing columns — this PR would be the only file without them. Please add them, e.g.:

  • comment[sdrf version]1.1
  • comment[sdrf template]default (or human, matching the template you annotated against)

Minor (disease ontology): parse_sdrf validate-sdrf passes, but emits warnings that idiopathic olfactory disorder and post-infectious olfactory disorder in characteristics[disease]/factor value[disease] aren't found in the disease ontologies (mondo;efo;doid;ncit;pato). If a matching ontology term exists, prefer the NT=...;AC=... form; otherwise it's fine to keep the study-defined labels — just flagging since CI surfaces them.


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@ypriverol

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@nithujohn Can you help here?

Updated sample characteristics and added sdrf version and annotation tool.
Updated the SDRF file to include 'cell type' characteristic and adjusted sample entries accordingly.
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4 participants