Data · dataset · 2026
1D NMR Metabolomics Baseline Correction Dataset for Biofluids and Tissue Extracts
Listed in ScienceDB
This dataset is a 1D NMR metabolomics experimental dataset containing spectral data from three types of authentic biological samples: blood plasma, urine, and mouse brain tissue extracts.
Description
All experimental data were acquired on a Bruker Avance III 600 MHz NMR spectrometer equipped with a 5-mm inverse cryogenic probe at a strictly controlled temperature of 25 °C. Different pulse sequences were employed based on the sample types: a CPMG sequence with a total spin-echo time of 100 ms was used for blood plasma to effectively attenuate broad macromolecular signals, whereas a water-suppressed 1D NOESY pulse sequence with a 2 s recycle delay and a 100 ms mixing time was applied for urine and mouse brain tissue extracts.
Regarding resolution parameters, the spectral width was set to 12,019 Hz for all spectra, with 32 accumulated scans and 16,384 (16k) complex sampling points per spectrum, ensuring high-resolution frequency-domain signals.Regarding data processing and sample size, this dataset comprises a total of 604 high-quality metabolomics NMR spectra, specifically including 48 blood plasma spectra, 436 urine spectra, and 120 mouse brain tissue extract spectra.
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To ensure the reliability of the data as a benchmark for downstream algorithms, all raw spectral data underwent meticulous manual phase and baseline corrections by experienced spectroscopists. This processing step removed the original baseline drift caused by instrument hardware factors, resulting in high-quality, pristine, baseline-free reference spectra. The dataset has been rigorously screened, with complete records and no missing data.
As the data have been expertly corrected manually, they represent recognized high-quality benchmarks in the field; the infinitesimal subjective interpretation residuals from experts do not compromise their validity as authentic references for algorithm training.The files in this dataset are stored in the standard data format of Bruker NMR instruments. Each data file fully retains the experimental acquisition parameters and spectral signal content.
This format offers excellent compatibility, allowing users to directly read, visualize, and process the spectra using the official Bruker TopSpin software (a free academic version is available for download on the official website) without the need for any additional data format conversion.
Links
Where it is published
- DOI doi.org/10.57760/sciencedb.012wl ↗
DOI / persistent id · from scidb cn
Catalogue records · 1
- OAI-PMH record scidb.cn/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=10.57760%2… ↗
metadata API · from scidb cn
Topics
- From keywords
- Chemistry · Computer Science & AI · Earth & Environmental Science · Engineering · Humanities · Life Sciences · Social Science
- Inferred from text
- Metabolomic chemistry 75%
Provenance · 1 source records, 13 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| ScienceDB | 10.57760/sciencedb.012wl | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].anzsrc:field:340106 | enrichment · scidb cn | taxonomy-embedding@1.0.0 | title+keywords+description (75%) |
| concepts[field].local:field:chemistry | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:engineering | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:humanities | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:social-science | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| description | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/description |
| license | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/rights |
| publication_date | source · scidb cn | connector:scidb_cn@1.0.0 | |
| title | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/title |