{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000892","ANALYSIS_ID":"AN001454","VERSION":"1","CREATED_ON":"November 9, 2017, 9:57 am"},

"PROJECT":{"PROJECT_TITLE":"Optimization of quantification of small molecules in intact plasma by 1D NMR","PROJECT_TYPE":"NMR pulse sequence comparison with biological samples","PROJECT_SUMMARY":"Two pulse sequences, CPMG and PROJECT, were tested to see their efficiency for quantification, along as the difference between intact plasma and extracted plasma. In total, 8 sets of experiments were used for quantification, 4 for the intact plasma and 4 for the extracted plasma. Standard addition was used to measure the concentrations in each case.","INSTITUTE":"University of Georgia","DEPARTMENT":"Complex Carbohydrates Research Center","LABORATORY":"Complex Carbohydrates Research Center","LAST_NAME":"Arthur","FIRST_NAME":"Edison","ADDRESS":"315 Riverbend Road 30602 Athens GA","EMAIL":"aedison@uga.edu","PHONE":"+1-706-542-8156"},

"STUDY":{"STUDY_TITLE":"Comparison of T2 filters for quantification of small molecules in plasma by 1D NMR","STUDY_TYPE":"NMR development for metabolomics","STUDY_SUMMARY":"A pooled plasma sample obtained from Red Cross has been seperated into 20 samples. 10 of them were simply mixed with a D2O phosphate buffer, while the other 10 were centrifuged first, then dried and resuspended in a 90/10 H2O/D2O phosphate buffer. The 20 NMR samples were analysed by NMR (4 spectra per sample, but different pulse sequences and parameters were used for each group). Standard addition was used in order to measure the concentration of 5 metabolites: valine, lactate, glucose, phenylalanine and formate.","INSTITUTE":"Complex Carbohydrates Research Center","LAST_NAME":"Edison","FIRST_NAME":"Arthur","ADDRESS":"315 Riverbend Road 30602 Athens GA","EMAIL":"aedison@uga.edu","PHONE":"+1-706-542-8156","NUM_GROUPS":"2","TOTAL_SUBJECTS":"20"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"EXPL6",
"Factors":{"Sample type":"Extracted plasma"}
},
{
"Subject ID":"-",
"Sample ID":"EXPL1",
"Factors":{"Sample type":"Extracted plasma"}
},
{
"Subject ID":"-",
"Sample ID":"EXPL10",
"Factors":{"Sample type":"Extracted plasma"}
},
{
"Subject ID":"-",
"Sample ID":"EXPL7",
"Factors":{"Sample type":"Extracted plasma"}
},
{
"Subject ID":"-",
"Sample ID":"EXPL4",
"Factors":{"Sample type":"Extracted plasma"}
},
{
"Subject ID":"-",
"Sample ID":"EXPL11",
"Factors":{"Sample type":"Extracted plasma"}
},
{
"Subject ID":"-",
"Sample ID":"EXPL8",
"Factors":{"Sample type":"Extracted plasma"}
},
{
"Subject ID":"-",
"Sample ID":"EXPL5",
"Factors":{"Sample type":"Extracted plasma"}
},
{
"Subject ID":"-",
"Sample ID":"EXPL9",
"Factors":{"Sample type":"Extracted plasma"}
},
{
"Subject ID":"-",
"Sample ID":"EXPL2",
"Factors":{"Sample type":"Extracted plasma"}
},
{
"Subject ID":"-",
"Sample ID":"EXPL3",
"Factors":{"Sample type":"Extracted plasma"}
},
{
"Subject ID":"-",
"Sample ID":"PL20",
"Factors":{"Sample type":"Intact plasma"}
},
{
"Subject ID":"-",
"Sample ID":"PL11",
"Factors":{"Sample type":"Intact plasma"}
},
{
"Subject ID":"-",
"Sample ID":"PL17",
"Factors":{"Sample type":"Intact plasma"}
},
{
"Subject ID":"-",
"Sample ID":"PL18",
"Factors":{"Sample type":"Intact plasma"}
},
{
"Subject ID":"-",
"Sample ID":"PL13",
"Factors":{"Sample type":"Intact plasma"}
},
{
"Subject ID":"-",
"Sample ID":"PL14",
"Factors":{"Sample type":"Intact plasma"}
},
{
"Subject ID":"-",
"Sample ID":"PL16",
"Factors":{"Sample type":"Intact plasma"}
},
{
"Subject ID":"-",
"Sample ID":"PL12",
"Factors":{"Sample type":"Intact plasma"}
},
{
"Subject ID":"-",
"Sample ID":"PL19",
"Factors":{"Sample type":"Intact plasma"}
},
{
"Subject ID":"-",
"Sample ID":"PL15",
"Factors":{"Sample type":"Intact plasma"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Not available"},

"TREATMENT":{"TREATMENT_SUMMARY":"Not available"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Mixing 540 μL of urine with 60 μL D2O potassium buffer + DSS","EXTRACT_STORAGE":"-80 C"},

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

"ANALYSIS":{"ACQUISITION_PARAMETERS_FILE":"plasma-paper-160821/CPMG-1; plasma-paper-160822/CPMG-1 and plasma-paper-160823/CPMG-1 | plasma-paper-160821/CPMG-2; plasma-paper-160822/CPMG-2 and plasma-paper-160823/CPMG-2 | plasma-paper-160821/CPMG-3; plasma-paper-160822/CPMG-3 and plasma-paper-160823/CPMG-3 | plasma-paper-160821/PROJECT-1; plasma-paper-160822/PROJECT-1 and plasma-paper-160826/PROJECT-1 | plasma-paper-160821/NOESYPR.D  plasma-paper-160822/NOESYPR1D and plasma-paper-160828/NOESYPR1D | plasma-paper-160821/PURGE; plasma-paper-160822/PURGE and plasma-paper-160828/PURGE | plasma-paper-160821/CPMG-4; plasma-paper-160822/CPMG-4 and plasma-paper-160823/CPMG-4 | plasma-paper-160821/PROJECT-2; plasma-paper-160822/PROJECT-2 and plasma-paper-160826/PROJECT-2","ANALYSIS_TYPE":"NMR"},

"NM":{"INSTRUMENT_NAME":"FT NMR","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","NMR_COMMENTS":"For intact plasma | For intact plasma | For intact plasma | For intact plasma | For extracted plasma | For extracted plasma | For extracted plasma | For extracted plasma","FIELD_FREQUENCY_LOCK":"2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz","SPECTROMETER_FREQUENCY":"600 MHz | 600 MHz | 600 MHz | 600 MHz | 601 MHz | 602 MHz | 603 MHz | 604 MHz NMR Probe | TCI 600 H-C/N-D | TCI 600 H-C/N-D | TCI 600 H-C/N-D | TCI 600 H-C/N-D | TCI 600 H-C/N-D | TCI 600 H-C/N-D | TCI 600 H-C/N-D | TCI 600 H-C/N-D","NMR_SOLVENT":"H2O+D2O (90/10) phosphate buffer | H2O+D2O (90/10) phosphate buffer | H2O+D2O (90/10) phosphate buffer | H2O+D2O (90/10) phosphate buffer | D2O phosphate buffer | D2O phosphate buffer | D2O phosphate buffer | D2O phosphate buffer","NMR_TUBE_SIZE":"5 mm","SHIMMING_METHOD":"Topshim | Topshim | Topshim | Topshim | Topshim | Topshim | Topshim | Topshim Pulse Sequence | cpmgpr1d | cpmgpr1d | cpmgpr1d | PROJECTpr1d-1 | noesypr1d | zgpurge-gprefocus-2 | cpmgpr1d | PROJECTpr1d-1","WATER_SUPPRESSION":"Presaturation","PULSE_WIDTH":"19.94 μs | 19.94 μs | 19.94 μs | 19.94 μs | 11.82 μs | 11.82 μs | 11.82 μs | 11.82 μs","POWER_LEVEL":"5.5584 W | 5.5584 W | 5.5584 W | 5.5584 W | 5.5584 W | 5.5584 W | 5.5584 W | 5.5584 W","RECEIVER_GAIN":"90.5 | 90.5 | 90.5 | 90.5 | 90.5 | 90.5 | 90.5 | 90.5","OFFSET_FREQUENCY":"2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz | 2824.58 Hz","PRESATURATION_POWER_LEVEL":"4.13E-05 | 4.13E-05 | 4.13E-05 | 4.13E-05 | 4.13E-05 | 4.13E-05 | 4.13E-05 | 4.13E-05","CHEMICAL_SHIFT_REF_CPD":"DSS | DSS | DSS | DSS | DSS | DSS | DSS | DSS","TEMPERATURE":"310 K | 311 K | 312 K | 313 K | 314 K | 315 K | 316 K | 317 K","NUMBER_OF_SCANS":"32 | 32 | 32 | 32 | 32 | 32 | 32 | 32","DUMMY_SCANS":"4 | 4 | 4 | 4 | 4 | 4 | 4 | 4","ACQUISITION_TIME":"3.067 | 3.067 | 3.067 | 3.067 | 3.067 | 3.067 | 3.067 | 3.067","RELAXATION_DELAY":"4 s | 4 s | 4 s | 4 s | 5 s | 6 s | 7 s | 8 s","SPECTRAL_WIDTH":"20.03 ppm | 20.03 ppm | 20.03 ppm | 20.03 ppm | 20.03 ppm | 20.03 ppm | 20.03 ppm | 20.03 ppm","NUM_DATA_POINTS_ACQUIRED":"73728 | 73728 | 73728 | 73728 | 73728 | 73728 | 73728 | 73728","REAL_DATA_POINTS":"36864 | 36864 | 36864 | 36864 | 36864 | 36864 | 36864 | 36864","LINE_BROADENING":"0.3 Hz | 0.3 Hz | 0.3 Hz | 0.3 Hz | 0.3 Hz | 0.3 Hz | 0.3 Hz | 0.3 Hz","ZERO_FILLING":"65536 | 65536 | 65536 | 65536 | 65536 | 65536 | 65536 | 65536","APODIZATION":"Gaussian | Gaussian | Gaussian | Gaussian | Gaussian | Gaussian | Gaussian | Gaussian","BASELINE_CORRECTION_METHOD":"Polynomial order 2 | Polynomial order 2 | Polynomial order 2 | Polynomial order 2 | Polynomial order 2 | Polynomial order 2 | Polynomial order 2 | Polynomial order 2","CHEMICAL_SHIFT_REF_STD":"DSS | DSS | DSS | DSS | DSS | DSS | DSS | DSS"},

"NMR_METABOLITE_DATA":{
"Units":"μM",

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