DIA proteomics data from a UPS1-spiked E.coli protein mixture processed with six software tools
Why this work is in the frame
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Bibliographic record
Abstract
In this article, we provide a proteomic reference dataset that has been initially generated for a benchmarking of software tools for Data-Independent Acquisition (DIA) analysis. This large dataset includes 96 DIA .raw files acquired from a complex proteomic standard composed of an E.coli protein background spiked-in with 8 different concentrations of 48 human proteins (UPS1 Sigma). These 8 samples were analyzed in triplicates on an Orbitrap mass spectrometer with 4 different DIA window schemes. We also provide the spectral libraries and FASTA file used for their analysis and the software outputs of the six tools used in this study: DIA-NN, Spectronaut, ScaffoldDIA, DIA-Umpire, Skyline and OpenSWATH. This dataset also contains post-processed quantification tables where the peptides and proteins have been validated, their intensities normalized and the missing values imputed with a noise value. All the files are available on ProteomeXchange. Altogether, these files represent the most comprehensive DIA reference dataset acquired on an Orbitrap instrument ever published. It will be a very useful resource to the proteomic scientists in order to assess the performance of DIA software tools or to test their processing pipelines, to the software developers to improve their tools or develop new ones and to the students for their training on proteomics data analysis.
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Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.004 | 0.005 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it