Comparison Log 2024-12-01 06:59:22.921297 mwtab Python Library Version: 1.2.5 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005564/mwtab/... Study ID: ST003390 Analysis ID: AN005564 Status: Inconsistent Sections "STUDY" contain missmatched items: {('NUM_FEMALES', '128'), ('SUBMIT_DATE', '2024-07-18'), ('NUM_GROUPS', '2'), ('TOTAL_SUBJECTS', '300'), ('NUM_MALES', '172')} Sections "CHROMATOGRAPHY" contain missmatched items: {('COLUMN_NAME', 'Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)'), ('COLUMN_NAME', 'Waters ACQUITY UPLC HSS C18 (100 x 2.1mm,1.8um)'), ('CHROMATOGRAPHY_SUMMARY', 'Lipids in different structures were separated on a ACQUITY UPLC® HSS C18 column (1.8 μm, 2.1mm × 100 mm, Waters) and detected by QTRAP hybrid triple quadrupole mass spectrometer (4500 MD). Mobile phase A was acetonitrile/water (60/40, V/V) with 10 mM ammonium acetate and mobile phase B was isopropanol/acetonitrile (90/10, V/V) containing 10 mM ammonium acetate. The binary gradient condition was set as follows: 0-2.0 min at 20% B, 2.0-5.0 min from 20 to 70%, 5.0-17.0 min from 70% to 95%, 17.0-17.5 min at 95%, 17.6 min at 20%B with 2.4 min for re-equilibration. The column was kept at 50 °C and the flow rate was set at 0.3 mL/min.'), ('CHROMATOGRAPHY_SUMMARY', 'Lipids in different structures were separated on a ACQUITY UPLC® HSS C18 column (1.8 μm, 2.1mm Ã\x97 100 mm, Waters) and detected by QTRAP hybrid triple quadrupole mass spectrometer (4500 MD). Mobile phase A was acetonitrile/water (60/40, V/V) with 10 mM ammonium acetate and mobile phase B was isopropanol/acetonitrile (90/10, V/V) containing 10 mM ammonium acetate. The binary gradient condition was set as follows: 0-2.0 min at 20% B, 2.0-5.0 min from 20 to 70%, 5.0-17.0 min from 70% to 95%, 17.0-17.5 min at 95%, 17.6 min at 20%B with 2.4 min for re-equilibration. The column was kept at 50 °C and the flow rate was set at 0.3 mL/min.'), ('METHODS_FILENAME', 'LC_parameters_targeted_metabolomic_analysis.pdf')} Sections "PROJECT" contain missmatched items: {('PROJECT_SUMMARY', 'We proposed an optimized and in-depth target-based metabolome platform through an integration of six distinct conditions, including a normal phase principle, a pre-column chemical derivatization, as well as four reversed phase separation methods for the absolute quantification and profiling of a total of 1614 small molecules (32 sub-classes) in serum after normalization using isotope labeled internal standards. Herein, we present a new dataset of a metabolomic profiles encompassing a cohort of 200 healthy individuals and 100 newly diagnosed Type 2 diabetes mellitus patients from the northern region of China. We hereby make these technical validation results and the profiling dataset publicly available to the scientific community, showcasing its exceptional sensitivity and robustness as an invaluable tool for metabolome analysis across laboratories.'), ('DOI', 'http://dx.doi.org/10.21228/M81V7G'), ('PROJECT_SUMMARY', 'We proposed an optimized and in-depth target-based metabolome platform through an integration of six distinct conditions, including a normal phase principle, a pre-column chemical derivatization, as well as four reversed phase separation methods for the absolute quantification and profiling of a total of 1609 small molecules (32 sub-classes) in serum after normalization using isotope labeled internal standards. Herein, we present a new dataset of a metabolomic profiles encompassing a cohort of 200 healthy individuals and 100 newly diagnosed Type 2 diabetes mellitus patients from the northern region of China. We hereby make these technical validation results and the profiling dataset publicly available to the scientific community, showcasing its exceptional sensitivity and robustness as an invaluable tool for metabolome analysis across laboratories.')} Sections "MS" contain missmatched items: {('MS_COMMENTS', '-'), ('INSTRUMENT_NAME', 'new'), ('INSTRUMENT_TYPE', 'Triple quadrupole'), ('MS_COMMENTS', 'The metabolites were ionized by a TurboVTM heated electrospray ionization source and scheduled MRM was conducted in both positive and negative modes. Polarity switching (for MRM) was used and detail information for instrument setting parameters was shown in the uploaded file. The optimal parameters of mass spectrometer were as follows: curtain gas, 35 psi; ion source gas 1, 50 psi; ion source gas 2, 50 psi; CE in negative mode, -4.5 kV; CE in positive mode, 5.5kV; ion source temperature 550 â\x84\x83. The mass chromatogram peaks of metabolites were extracted and integrated using the in-house software OS (AB Sciex, Singapore). Each peak was automatically identified based on the retention time and MRM parameters of standards, with an overall afterward manual check. And the quantitative results for metabolites were calculated by correcting with isotopically labelled internal standards. The wiff file provided includes all the samples in the batch. The sample names and sample ID are consistent.'), ('INSTRUMENT_TYPE', 'QTRAP'), ('INSTRUMENT_NAME', 'ABI Sciex 5500 QTrap')} Sections "COLLECTION" contain missmatched items: {('STORAGE_CONDITIONS', '-80℃'), ('COLLECTION_METHOD', 'Fasting blood samples were collected in the additive-free sterile glass and stand at room temprature for 1h. Then, serum samples were obtained by centrifugation at 3500rpm under 4 ℃ for 15min and dispensed into ep tubes, storing at -80 ℃ until analysis.'), ('COLLECTION_METHOD', 'Fasting blood samples were collected in the additive-free sterile glass and stand at room temprature for 1h. Then, serum samples were obtained by centrifugation at 3500rpm under 4 â\x84\x83 for 15min and dispensed into ep tubes, storing at -80 â\x84\x83 until analysis.'), ('STORAGE_CONDITIONS', '-80â\x84\x83')} Sections "SAMPLEPREP" contain missmatched items: {('SAMPLEPREP_PROTOCOL_FILENAME', 'Preparation_protocols_for_M1-M6.pdf')} mwTab files contain different 'SUBJECT_SAMPLE_FACTORS' sections. 'Metabolite' 'Data' section of 'MS_METABOLITE_DATA' block do not match.