Validation Log
2024-12-01 03:26:36.706171
mwtab Python Library Version: 1.2.5
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN002085/mwtab/txt
Study ID:      ST001256
Analysis ID:   AN002085
File format:   txt
Status: Contains Validation Errors
Number Errors: 1

Error Log:
SCHEMA: Section "MS" does not match the allowed schema. Wrong key 'LABORATORY_NAME' in OrderedDict([('INSTRUMENT_NAME', 'Thermo Q-Exactive'), ('INSTRUMENT_TYPE', 'Orbitrap'), ('MS_TYPE', 'ESI'), ('ION_MODE', 'UNSPECIFIED'), ('MS_COMMENTS', 'The capillary of the ESI source was set to 275 °C, with sheath gas at 45 arbitrary units, auxiliary gas at 5 arbitrary units and the spray voltage at 4.0 kV. In positive/negative polarity switching mode, an m/z scan range from 70 to 850 was chosen and MS1 data was collected at a resolution of 70,000. The automatic gain control (AGC) target was set at 1 × 106 and the maximum injection time was 200\u2009ms. The top 5 precursor ions were subsequently fragmented, in a data-dependent manner, using the higher energy collisional dissociation (HCD) cell set to 30% normalized collision energy in MS2 at a resolution power of 17,500. The sample volumes of 25\u2009μl were injected. Data acquisition and analysis were carried out by Xcalibur 4.0 software and Tracefinder 2.1 software, respectively (both from Thermo Fisher Scientific).'), ('LABORATORY_NAME', 'Northwestern University.')])