{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000104","ANALYSIS_ID":"AN000172","VERSION":"1","CREATED_ON":"10-02-2015"},

"PROJECT":{"PROJECT_TITLE":"Factors for Epigenetic Silencing of Lung Cancer Genes","PROJECT_TYPE":"Metabolomics","PROJECT_SUMMARY":"To test the hypothesis that the propensity for silencing of tumor suppressor genes in the respiratory epithelium of chronic smokers by promoter hypermethylation is influenced by sequence variations that modify the activity of genes and microRNA’s that directly or indirectly influence de novo methylation and chromatin remodeling.","INSTITUTE":"Lovelace Respiratory Research Institute","DEPARTMENT":"Lung Cancer Program","LAST_NAME":"Belinsky","FIRST_NAME":"Steven","ADDRESS":"Lovelace Respiratory Research Institute, 2425 ridgecrest Dr, SE, Albuqurque, NM","EMAIL":"SBelinsk@lrri.org","PHONE":"505-348-9465","FUNDING_SOURCE":"NCI"},

"STUDY":{"STUDY_TITLE":"Factors for Epigenetic Silencing of Lung Cancer Genes","STUDY_TYPE":"Metabolomic analysis of Plasma","STUDY_SUMMARY":"To test the hypothesis that the propensity for silencing of tumor suppressor genes in the respiratory epithelium of chronic smokers by promoter hypermethylation is influenced by sequence variations that modify the activity of genes and microRNAÕs that directly or indirectly influence de novo methylation and chromatin remodeling.","INSTITUTE":"RTI International","DEPARTMENT":"Discovery Science Technology","LABORATORY":"NIH Eastern Regional Comprehensive Metabolomics Resource Core (RTI RCMRC)","LAST_NAME":"Sumner","FIRST_NAME":"Susan","ADDRESS":"3040 E. Cornwallis Road, Research Triangle Park, NC 27709, USA","EMAIL":"ssumner@rti.org","PHONE":"919-541-7479","NUM_GROUPS":"3","TOTAL_SUBJECTS":"69"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"40-76","WEIGHT_OR_WEIGHT_RANGE":"Normal, Overweight, Obese","GENDER":"male , female","HUMAN_SMOKING_STATUS":"former","SPECIES_GROUP":"Human"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"PPALL0001",
"Factors":{"Gender":"External_Pooled_Combined_QC","bmi_cat":"-","drc_rank":"-","methylation_rank":"-","Pack Years":"-"},
"Additional sample data":{"smk_hx":"-","age_cat":"-"}
},
{
"Subject ID":"-",
"Sample ID":"PPALL0002",
"Factors":{"Gender":"External_Pooled_Combined_QC","bmi_cat":"-","drc_rank":"-","methylation_rank":"-","Pack Years":"-"},
"Additional sample data":{"smk_hx":"-","age_cat":"-"}
},
{
"Subject ID":"-",
"Sample ID":"PPALL0003",
"Factors":{"Gender":"External_Pooled_Combined_QC","bmi_cat":"-","drc_rank":"-","methylation_rank":"-","Pack Years":"-"},
"Additional sample data":{"smk_hx":"-","age_cat":"-"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_00001",
"Factors":{"Gender":"External_Pooled_Female_QC","bmi_cat":"-","drc_rank":"-","methylation_rank":"-","Pack Years":"-"},
"Additional sample data":{"smk_hx":"-","age_cat":"-"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_00002",
"Factors":{"Gender":"External_Pooled_Female_QC","bmi_cat":"-","drc_rank":"-","methylation_rank":"-","Pack Years":"-"},
"Additional sample data":{"smk_hx":"-","age_cat":"-"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_00003",
"Factors":{"Gender":"External_Pooled_Female_QC","bmi_cat":"-","drc_rank":"-","methylation_rank":"-","Pack Years":"-"},
"Additional sample data":{"smk_hx":"-","age_cat":"-"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_00001",
"Factors":{"Gender":"External_Pooled_Male_QC","bmi_cat":"-","drc_rank":"-","methylation_rank":"-","Pack Years":"-"},
"Additional sample data":{"smk_hx":"-","age_cat":"-"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_00002",
"Factors":{"Gender":"External_Pooled_Male_QC","bmi_cat":"-","drc_rank":"-","methylation_rank":"-","Pack Years":"-"},
"Additional sample data":{"smk_hx":"-","age_cat":"-"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_00003",
"Factors":{"Gender":"External_Pooled_Male_QC","bmi_cat":"-","drc_rank":"-","methylation_rank":"-","Pack Years":"-"},
"Additional sample data":{"smk_hx":"-","age_cat":"-"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met31",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"high","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met32",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"high","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met41",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"high","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met44",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"high","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met02",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"low","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met05",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"low","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met07",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"low","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met08",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"low","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met14",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"low","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met03",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"low","methylation_rank":"medium","Pack Years":">= 70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met29",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met45",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met46",
"Factors":{"Gender":"Female","bmi_cat":"Normal","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met35",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"high","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met37",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"high","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met06",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"low","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met11",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"low","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met13",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"low","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met15",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met16",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met17",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met26",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met28",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met27",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"high","Pack Years":">=70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met19",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"high","Pack Years":">= 70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met48",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met49",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met50",
"Factors":{"Gender":"Female","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met33",
"Factors":{"Gender":"Female","bmi_cat":"Overwt","drc_rank":"high","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met34",
"Factors":{"Gender":"Female","bmi_cat":"Overwt","drc_rank":"high","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met01",
"Factors":{"Gender":"Female","bmi_cat":"Overwt","drc_rank":"low","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met04",
"Factors":{"Gender":"Female","bmi_cat":"Overwt","drc_rank":"low","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met18",
"Factors":{"Gender":"Female","bmi_cat":"Overwt","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met20",
"Factors":{"Gender":"Female","bmi_cat":"Overwt","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met47",
"Factors":{"Gender":"Female","bmi_cat":"Overwt","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met55",
"Factors":{"Gender":"Female","bmi_cat":"Overwt","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met57",
"Factors":{"Gender":"Female","bmi_cat":"Overwt","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met59",
"Factors":{"Gender":"Female","bmi_cat":"Overwt","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met60",
"Factors":{"Gender":"Female","bmi_cat":"Overwt","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met10",
"Factors":{"Gender":"Male","bmi_cat":"Normal","drc_rank":"low","methylation_rank":"high","Pack Years":">= 70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met40",
"Factors":{"Gender":"Male","bmi_cat":"Normal","drc_rank":"low","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met38",
"Factors":{"Gender":"Male","bmi_cat":"Normal","drc_rank":"low","methylation_rank":"medium","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met22",
"Factors":{"Gender":"Male","bmi_cat":"Normal","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met25",
"Factors":{"Gender":"Male","bmi_cat":"Normal","drc_rank":"not determined","methylation_rank":"high","Pack Years":">= 70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met56",
"Factors":{"Gender":"Male","bmi_cat":"Normal","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met39",
"Factors":{"Gender":"Male","bmi_cat":"Obese","drc_rank":"high","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met21",
"Factors":{"Gender":"Male","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met23",
"Factors":{"Gender":"Male","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met24",
"Factors":{"Gender":"Male","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met30",
"Factors":{"Gender":"Male","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met52",
"Factors":{"Gender":"Male","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met51",
"Factors":{"Gender":"Male","bmi_cat":"Obese","drc_rank":"not determined","methylation_rank":"low","Pack Years":">=70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met43",
"Factors":{"Gender":"Male","bmi_cat":"Overwt","drc_rank":"high","methylation_rank":"medium","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met09",
"Factors":{"Gender":"Male","bmi_cat":"Overwt","drc_rank":"low","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PHI_Met12",
"Factors":{"Gender":"Male","bmi_cat":"Overwt","drc_rank":"low","methylation_rank":"high","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met36",
"Factors":{"Gender":"Male","bmi_cat":"Overwt","drc_rank":"low","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met42",
"Factors":{"Gender":"Male","bmi_cat":"Overwt","drc_rank":"low","methylation_rank":"low","Pack Years":">=70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met53",
"Factors":{"Gender":"Male","bmi_cat":"Overwt","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
},
{
"Subject ID":"-",
"Sample ID":"PLO_Met54",
"Factors":{"Gender":"Male","bmi_cat":"Overwt","drc_rank":"not determined","methylation_rank":"low","Pack Years":"<70"},
"Additional sample data":{"smk_hx":"Former","age_cat":"40-76 yrs"}
}
],
"COLLECTION":{"SAMPLE_TYPE":"plasma","VOLUMEORAMOUNT_COLLECTED":"1000uL","STORAGE_CONDITIONS":"-80","ADDITIVES":"EDTA","BLOOD_SERUM_OR_PLASMA":"plasma","COLLECTION_SUMMARY":"-"},

"TREATMENT":{"TREATMENT_SUMMARY":"none"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Aliquots of plasma samples (630 µL) were transferred into labeled tubes for experimental samples.  Pooled high methylatiion, low methylation and combined plasma samples were prepared to serve as external QC samples.  For all samples 70 µL of 10 mM formate solution (chemical shift indicator) in 0.9% saline in D2O with 0.02% NaN3 was added to each tube and were vortexed for 30 sec then centrifuged at 12000 rcf for 5 min. A 600 µL aliquot of the supernatant was transferred into 5 mm NMR tubes, which were kept on ice until data acquisition.","PROCESSING_STORAGE_CONDITIONS":"4°C","EXTRACT_STORAGE":"-80C","SAMPLE_RESUSPENSION":"D2O Saline","SAMPLE_SPIKING":"formate"},

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

"ANALYSIS":{"LABORATORY_NAME":"DHMRI","ANALYSIS_TYPE":"NMR","ACQUISITION_DATE":"41597","SOFTWARE_VERSION":"TopSpin 2.1","OPERATOR_NAME":"Kevin Knagge, Wimal Pathmasiri","DETECTOR_TYPE":"NMR","DATA_FORMAT":"Bruker FID"},

"NM":{"INSTRUMENT_TYPE":"Bruker","NMR_EXPERIMENT_TYPE":"1D 1H","FIELD_FREQUENCY_LOCK":"D20","STANDARD_CONCENTRATION":"1 mM","SPECTROMETER_FREQUENCY":"700 MHz","NMR_PROBE":"5mm Cryogenically Cooled  ATMA","NMR_SOLVENT":"D20","NMR_TUBE_SIZE":"5mm","SHIMMING_METHOD":"Topshim (Gradient)","PULSE_SEQUENCE":"cpmgpr1d","WATER_SUPPRESSION":"yes","PULSE_WIDTH":"11.2","POWER_LEVEL":"25.704 W","RECEIVER_GAIN":"4.5","OFFSET_FREQUENCY":"3300.70 Hz","CHEMICAL_SHIFT_REF_CPD":"formate","TEMPERATURE":"298 K","NUMBER_OF_SCANS":"256","DUMMY_SCANS":"4","ACQUISITION_TIME":"2.3243","RELAXATION_DELAY":"2s","SPECTRAL_WIDTH":"20.13 ppm","NUM_DATA_POINTS_ACQUIRED":"65536","REAL_DATA_POINTS":"65536","LINE_BROADENING":"0.5","ZERO_FILLING":"Yes","APODIZATION":"Lorentzian","BASELINE_CORRECTION_METHOD":"Polynomial","CHEMICAL_SHIFT_REF_STD":"Formate","INSTRUMENT_NAME":"Bruker Avance III 700 MHz"},

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