Comparison Log
2025-11-23 09:54:06.624585
mwtab Python Library Version: 1.2.5
Source:      https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN007214/mwtab/...
Study ID:    ST004329
Analysis ID: AN007214
Status:      Inconsistent

Sections "MS" contain missmatched items: {('MS_COMMENTS', 'MS acquisition Comments: Comments: "Data acquired using an AB Sciex 6500+ QTrap Triple Quadrupole mass spectrometer in both positive and negative ESI modes. Positive mode for hydrophilic interaction chromatography (HILIC) and negative mode for reversed-phase chromatography (RPLC) as per the untargeted metabolomics protocol. The system was set to acquire data over the m/z range of 60–1,000 Da for TOF-MS scans and 25–1,000 Da for MS/MS scans in IDA mode." Data processing Comments: Comments: "LC-MS data were processed using the ProteoWizard MSConvert tool to convert raw data from wiff to mzXML format. The data were processed with XCMS using centWave (peak detection: 10 ppm, peak width: 10–60 sec) and CAMERA for isotope/adduct annotation. Features with >50% non-zero values in at least one group were retained for further analysis. QC data was incorporated to monitor instrument performance, and ComBat was applied after QC-RLSC for signal drift correction." Software/procedures used for feature assignments: Comments: "Feature identification was based on the comparison of the measured m/z values with an in-house database and public databases such as MassBank, METLIN, and MoNA. Theoretical fragmentation patterns were matched to assign putative identities. MSI Level 1 was reported for authentic standards, and MSI Level 2 for unconfirmed features. Data were normalized to the total ion count (TIC) for each sample."'), ('MS_COMMENTS', 'MS acquisition Comments: Comments: Data acquired using an AB Sciex 6500+ QTrap Triple Quadrupole mass spectrometer in both positive and negative ESI modes. Positive mode for hydrophilic interaction chromatography (HILIC) and negative mode for reversed-phase chromatography (RPLC) as per the untargeted metabolomics protocol. The system was set to acquire data over the m/z range of 60–1,000 Da for TOF-MS scans and 25–1,000 Da for MS/MS scans in IDA mode. Data processing Comments: Comments: LC-MS data were processed using the ProteoWizard MSConvert tool to convert raw data from wiff to mzXML format. The data were processed with XCMS using centWave (peak detection: 10 ppm, peak width: 10–60 sec) and CAMERA for isotope/adduct annotation. Features with >50% non-zero values in at least one group were retained for further analysis. QC data was incorporated to monitor instrument performance, and ComBat was applied after QC-RLSC for signal drift correction. Software/procedures used for feature assignments: Comments: Feature identification was based on the comparison of the measured m/z values with an in-house database and public databases such as MassBank, METLIN, and MoNA. Theoretical fragmentation patterns were matched to assign putative identities. MSI Level 1 was reported for authentic standards, and MSI Level 2 for unconfirmed features. Data were normalized to the total ion count (TIC) for each sample.')}
Sections "TREATMENT" contain missmatched items: {('TREATMENT_SUMMARY', "Treatment Summary: The experiment was conducted to assess the effects of acute heat stress on coral physiology and metabolism across three reef-building coral species: Acropora hyacinthus, Pocillopora damicornis, and Porites lutea. The coral nubbins were subjected to three distinct temperature treatments: control (27°C), moderate heat stress (31°C), and severe heat stress (34°C). Acclimation and Experimental Setup: Coral nubbins (36 per species) were acclimated for 7 days in the laboratory’s flow-through seawater system, mimicking natural conditions. The system utilized seawater drawn from 5 meters depth, filtered through a 0.45-μm cartridge and UV sterilized. After acclimation, nubbins were randomly assigned to three temperature treatment groups: Control (27°C): This represents the annual mean seawater temperature in Sanya. Moderate Heat Stress (31°C): Simulating moderate heat stress scenarios, this treatment represents a 4°C increase over the control. Severe Heat Stress (34°C): Simulating extreme heat stress, this treatment represents a 7°C increase over the control. Thermal Regimes: Temperature was ramped from the control temperature (27°C) to the moderate heat stress (31°C) and severe heat stress (34°C) conditions over a 6-hour period on the morning of September 24, 2024. These temperatures were maintained for the subsequent 7 days. During this period, water temperature was recorded every 15 minutes using HOBO data loggers. Light and Circulation Conditions: All tanks were illuminated with full-spectrum fluorescent lamps (Giesemann, Germany), providing light at approximately 120 μmol photons m⁻² s⁻¹ on a 12-hour light/dark cycle, simulating natural irradiance at 3 meters depth. Water circulation was maintained at ~350 L/h using submersible pumps (AT101S, Atman, Beijing, China). Sampling and Measurements: At the end of the experimental period (September 30, 2024), coral nubbins were assessed for their physiological responses to the thermal stress treatments, including net photosynthetic carbon fixation (NCP), respiratory carbon consumption (CR), and calcification (both light and dark calcification rates). These parameters were quantified using the total alkalinity anomaly method for calcification and dissolved inorganic carbon (DIC) changes for NCP and CR. Additionally, metabolomic profiling was conducted to capture the reprogramming of the coral holobiont's metabolic pathways under heat stress conditions."), ('TREATMENT_SUMMARY', "Treatment Summary: The experiment was conducted to assess the effects of acute heat stress on coral physiology and metabolism across three reef-building coral species: Acropora hyacinthus, Pocillopora damicornis, and Porites lutea. The coral nubbins were subjected to three distinct temperature treatments: control (27°C), moderate heat stress (31°C), and severe heat stress (34°C). Acclimation and Experimental Setup: Coral nubbins (36 per species) were acclimated for 7 days in the laboratory’s flow-through seawater system, mimicking natural conditions. The system utilized seawater drawn from 5 meters depth, filtered through a 0.45-μm cartridge and UV sterilized. After acclimation, nubbins were randomly assigned to three temperature treatment groups: Control (27°C): This represents the annual mean seawater temperature in Sanya. Moderate Heat Stress (31°C): Simulating moderate heat stress scenarios, this treatment represents a 4°C increase over the control. Severe Heat Stress (34°C): Simulating extreme heat stress, this treatment represents a 7°C increase over the control. Thermal Regimes: Temperature was ramped from the control temperature (27°C) to the moderate heat stress (31°C) and severe heat stress (34°C) conditions over a 6-hour period on the morning of September 24, 2024. These temperatures were maintained for the subsequent 7 days. During this period, water temperature was recorded every 15 minutes using HOBO data loggers. Light and Circulation Conditions: All tanks were illuminated with full-spectrum fluorescent lamps (Giesemann, Germany), providing light at approximately 120 μmol photons m⁻² s⁻¹ on a 12-hour light/dark cycle, simulating natural irradiance at 3 meters depth. Water circulation was maintained at ~350 L/h using submersible pumps (AT101S, Atman, Beijing, China). Sampling and Measurements: At the end of the experimental period (September 30, 2024), coral nubbins were assessed for their physiological responses to the thermal stress treatments, including net photosynthetic carbon fixation (NCP), respiratory carbon consumption (CR), and calcification (both light and dark calcification rates). These parameters were quantified using the total alkalinity anomaly method for calcification and dissolved inorganic carbon (DIC) changes for NCP and CR. Additionally, metabolomic profiling was conducted to capture the reprogramming of the coral holobiont''s metabolic pathways under heat stress conditions.")}