MRS fitting challenge data setup by ISMRM MRS study group

The deposited data contains 28 datasets, basis sets, Cr dataset for testing scaling, and ground truth values for all datasets. The datasets and basis sets are provided in various formats described below. Here are details of what is inside: 28 datasets are provided in three formats: 1. text file (column 1: real part of water suppressed FID; column 2: imaginary part of water suppressed FID; column 3: real part of water FID; column 4: imaginary part of water FID) 2. LCModel (.RAW and .h2o) 3. jMRUI (ASCII txt formats for both water suppressed [WS] and water spectra) The metabolite basis sets with macromolecular baseline are provided in these four formats: 1. text file (column 1: real part of FID; column 2: imaginary part of FID) for each metabolite and macromolecular baseline (MMBL) 2. text file with no reference peak at 0 ppm (column 1: real part of FID; column 2: imaginary part of FID) for each metabolite and MMBL 3. LCModel (.RAW) for each metabolite and MMBL and .BASIS 4. jMRUI (ASCII txt file format) for each metabolite and MMBL Cr scaling. An additional dataset, Cr_10mM_test_water_scaling (text, LCModel, jMRUI), is provided for testing water scaling. This dataset contains a Cr spectrum which - with correct water scaling - should come out to be 10.83 mM. metabolite concentration = (relaxation corrected water concentration) * (metabolite relaxation correction) * metabolite area / water area relaxation corrected water concentration = 1 mol / 18.015 g * 0.6 * 0.78 g/ml * exp(-30 ms/110 ms) + 1 mol/18.015 g * 0.4 *0.65 g/ml * exp(-30 ms/80 ms) = 29697 mM metabolite relaxation correction = 1/(exp(-30 ms/160 ms)) = 1.206 The following parameters describe the simulated data: Frequency = 123.2 MHz Sequence: PRESS TE = 30 ms, TE1 = 11 ms, TE2 = 19 ms TR >> T1’s Spectral width = 4000 Hz Number of points = 2048 Tissue content: GM = 60%, WM = 40% Water content: GM = 0.78 g/ml, WM = 0.65 g/ml T2 of water: GM = 110 ms, WM = 80 ms T2 of metabolites = 160 ms All metabolites datasets were generated using ideal pulses except for MMBL which was obtained experimentally. Glucose was simulated using both anomers, 0.36 alpha-glucose and 0.64 beta-glucose. The datasets may contain some or all of the metabolites listed among the basis spectra. In addition, lipid resonances and artifacts may be present.