{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000020","ANALYSIS_ID":"AN000039","VERSION":"1","CREATED_ON":"10-02-2015"},

"PROJECT":{"PROJECT_TITLE":"Intensive Diet and Exercise for Arthritis (IDEA) trial","PROJECT_TYPE":"Effects of a calorie-restricting diet, exercise, and a combination of both in reducing knee inflammation and compressive forces in obese and overweight adults with knee osteoarthritis (OA).","PROJECT_SUMMARY":"Osteoarthritis (OA) is the most common form of arthritis and the number one cause of chronic disability in adults. Interventions which can stop or even slow the progression of OA are badly needed. The long-term goal of this proposal is to use a metabolomics approach to gain a better understanding of metabolic alterations in people with knee osteoarthritis (OA) and to discover novel biomarkers of disease activity. OA results from progressive destruction of the articular cartilage accompanied by hypertrophic changes in adjacent bone, varying degrees of synovial inflammation, and destruction of other joint tissues, including the menisci and ligaments. There are multiple risk factors for OA, including age and joint injury, but perhaps most relevant to this proposal is the role of obesity. The mechanism by which altered metabolism in certain obese individuals might contribute to OA pathogenesis is poorly understood and will be a subject of this proposal. A second critical need in the OA field, which will be addressed by this study, is the availability of biomarkers to detect early disease, predict which people are more likely to progress, or measure response to therapy. Our general hypothesis for this pilot study is that metabolic differences, measured by a metabolomic analysis of urine samples, can be used to distinguish overweight and obese individuals who develop symptomatic knee OA from those who do not and distinguish those with OA who will progress. To test this hypothesis our specific aims are to: 1) Determine if metabolic differences, detected by a comprehensive metabolomics analysis, can be used to distinguish people who will develop symptomatic knee OA from those who will not and 2) Determine if metabolic differences, detected by a comprehensive metabolomics analysis, distinguish people with knee OA who exhibit radiographic progression during an 18 month exercise and weight loss intervention from those who do not.","INSTITUTE":"Wake Forest University","DEPARTMENT":"Molecular Medicine, School of Medicine","LABORATORY":"Loeser Laboratory","LAST_NAME":"Richard","FIRST_NAME":"Loeser","ADDRESS":"Medical Center Blvd, Winsten-Salem, NC","EMAIL":"rloeser@wakehealth.edu","PHONE":"(336) 716-4322","FUNDING_SOURCE":"NIH"},

"STUDY":{"STUDY_TITLE":"Biomarker Discovery in Knee Osteoarthritis (I)","STUDY_TYPE":"Biomarker Discovery in Knee Osteoarthritis","STUDY_SUMMARY":"The goal of the study was to determine whether there is a set of metabolites that differentiate people who have knee OA and show radiographic disease progression over 18 months from those who have knee OA and do not show disease progression over the same time period.","INSTITUTE":"RTI International","DEPARTMENT":"Systems and Translational Sciences (STS)","LABORATORY":"NIH Eastern Regional Comprehensive Metabolomics Resource Core (RTI RCMRC)","LAST_NAME":"Sumner","FIRST_NAME":"Susan","ADDRESS":"3040 East Cornwallis Road, Research Triangle Park, NC 27709, USA.","EMAIL":"ssumner@rti.org","PHONE":"919-541-7479","NUM_GROUPS":"4","TOTAL_SUBJECTS":"88"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"56-78","WEIGHT_OR_WEIGHT_RANGE":"Obese or Overweight","GENDER":"Male, Female","HUMAN_RACE":"Caucasian, African American","HUMAN_TRIAL_TYPE":"Intervention","SPECIES_GROUP":"Human"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"1338-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet&Exer","Race":"B","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1380-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2370-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2925-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3163-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3166-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3727-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1401-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1538-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"2120-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"3994-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"4272-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet Only","Race":"B","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1882-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet Only","Race":"B","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1382-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1702-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1864-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2479-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3130-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3296-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3285-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"2944-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Exer Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3786-fu18",
"Factors":{"Time Point":"fu18","Progressor":"N","Intervention":"Exer Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3612-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet&Exer","Race":"B","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1934-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2012-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2095-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3985-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1291-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1441-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1681-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1808-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"2830-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet Only","Race":"B","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2276-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2924-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3331-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3706-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3750-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3929-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1745-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Exer Only","Race":"B","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1488-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Exer Only","Race":"B","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1106-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Exer Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"4097-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Exer Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1624-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Exer Only","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"3845-fu18",
"Factors":{"Time Point":"fu18","Progressor":"P","Intervention":"Exer Only","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1338-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet&Exer","Race":"B","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1380-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2370-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2925-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3163-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3166-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3727-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1401-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1538-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"2120-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"3994-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"4272-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet Only","Race":"B","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1882-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet Only","Race":"B","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1382-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1702-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1864-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2479-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3130-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3296-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3285-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Diet Only","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"2944-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Exer Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3786-RV",
"Factors":{"Time Point":"RV","Progressor":"N","Intervention":"Exer Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3612-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet&Exer","Race":"B","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1934-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2012-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2095-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3985-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1291-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1441-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1681-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1808-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet&Exer","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"2830-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet Only","Race":"B","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2276-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"2924-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3331-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3706-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3750-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"3929-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Diet Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1745-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Exer Only","Race":"B","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1488-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Exer Only","Race":"B","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"1106-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Exer Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"4097-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Exer Only","Race":"W","Gender":"F"}
},
{
"Subject ID":"-",
"Sample ID":"1624-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Exer Only","Race":"W","Gender":"M"}
},
{
"Subject ID":"-",
"Sample ID":"3845-RV",
"Factors":{"Time Point":"RV","Progressor":"P","Intervention":"Exer Only","Race":"W","Gender":"M"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Urine samples (early morning [second morning void) after a 10-hour fast]) collected from 44 overweight or obese participants in the IDEA trial at baseline and at 18 months of follow-up were selected from two subgroups (n=22 each): a group that exhibited radiographic progression and an age, race, sex, and BMI matched group who did not progress. Progression was defined radiographically by a ? 0.7mm decrease in medial JSW from baseline to 18 months while non-progression was defined as a decrease in medial JSW of ?0.35mm . All subjects experienced knee pain and had radiographic evidence of tibiofemoral OA. For those people who were assigned an intervention that included exercise, the 18-month samples were collected at least 24 hours after the last acute bout of exercise training.  In addition sampling was postponed (1-2 weeks after recovery from symptoms) in the event of an acute respiratory, urinary tract, or other infection.  Urine was aliquoted and stored in cryovials at -80°C.","SAMPLE_TYPE":"Urine","COLLECTION_FREQUENCY":"Baseline and after 18 month (Follow up)","VOLUMEORAMOUNT_COLLECTED":"1.8 mL of urine","STORAGE_CONDITIONS":"80C."},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Chenomx Internal Standard solution (70 ul) and 230 ul D20  was added to each of the 88 urine sample (400 ul), vortexed for 30s, and centrifuged at 12000 rcf for 5min. Chenomx ISTD (Chenomx, Edmonton, Alberta, Canada) contains 5mM 4,4-dimethyl-4-silapentane-1-sulfonic acid (DSS, Chemical Shift Indicator), 100 mM Imidazole (pH indicator), and 0.2% NaN3 (to inhibit bacterial growth) in D2O. 600 µl aliquot of the supernatant was transferred into 5mm NMR tubes (Bruker-Biospin, Germany). Phenotypic pooled urine samples were made by combining 200 µl aliquots from each of the study samples belonging to the same phenotype (Progressors-Baseline, Progressors-follow up, Non-progressors-baseline, and Non-progressors-follow up). In addition, a combined phenotypic pooled sample was also prepared by using 500 µl aliquot from each of the phenotypic pooled sample. Pooled NMR samples were prepared as described above and used as quality check (QC) samples.","SAMPLEPREP_PROTOCOL_ID":"RTI NMR SERUM CHENOMX method","SAMPLEPREP_PROTOCOL_FILENAME":"RTI_WOA_IDEA_Metabolomics_Procedure_Feb28_2014.docx","PROCESSING_METHOD":"Dilution using a mixture of D2O and Chenomx ISTD","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACTION_METHOD":"None"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"-","INSTRUMENT_NAME":"-","COLUMN_NAME":"-"},

"ANALYSIS":{"LABORATORY_NAME":"RTI/DHMRI","ANALYSIS_TYPE":"NMR","ACQUISITION_DATE":"2013-07-17","SOFTWARE_VERSION":"Topspin/ 3.0","OPERATOR_NAME":"Wimal Pathmasiri, Kevin Knagge","DATA_FORMAT":"fid, 1r"},

"NM":{"INSTRUMENT_TYPE":"Bruker Avance III","NMR_EXPERIMENT_TYPE":"1D 1H","FIELD_FREQUENCY_LOCK":"Deuterium","STANDARD_CONCENTRATION":"0.5 mM","SPECTROMETER_FREQUENCY":"950 MHz","NMR_PROBE":"cryo, inverse ATMA","NMR_SOLVENT":"D2O","NMR_TUBE_SIZE":"5mm x 7 in","SHIMMING_METHOD":"topshim","PULSE_SEQUENCE":"noesypr1d","WATER_SUPPRESSION":"presat","PULSE_WIDTH":"12.15 us","POWER_LEVEL":"12.589w","RECEIVER_GAIN":"4","OFFSET_FREQUENCY":"4469.3 Hz","CHEMICAL_SHIFT_REF_CPD":"DSS","TEMPERATURE":"298 K","NUMBER_OF_SCANS":"64","DUMMY_SCANS":"4","ACQUISITION_TIME":"0.865 sec","RELAXATION_DELAY":"2 sec","SPECTRAL_WIDTH":"18939.40 Hz","NUM_DATA_POINTS_ACQUIRED":"32K","REAL_DATA_POINTS":"64K","LINE_BROADENING":"0.5","ZERO_FILLING":"yes","APODIZATION":"lorentzian","BASELINE_CORRECTION_METHOD":"Polynomial","CHEMICAL_SHIFT_REF_STD":"DSS","INSTRUMENT_NAME":"Bruker Avance III"},

"NMR_METABOLITE_DATA":{
"Units":"N/A",

"Data":[false],

"Metabolites":[{"metabolite_name":"no data"}]
}

}