Data/sub-003/MRS/all_parameters.csv

+parameter,mean,std
+Ala,0.00976068569390006,0.0055553177424002296
+Asc,0.034481412222791316,0.012228996978178728
+Asp,0.07644478378443907,0.024648725257126827
+Cr,0.21899957398742673,0.01282297217930163
+GABA,0.058456307341704344,0.011640672217500423
+GPC,0.05579915895088136,0.004781976230320009
+GSH,0.06754046095885163,0.008151866100040442
+Glc,0.08993990084921479,0.0167057158813979
+Gln,0.06407053720028082,0.013352867299785687
+Glu,0.45097812012514604,0.014581237624970567
+Ins,0.2885401483610231,0.006793922308398563
+Lac,0.03372662841267698,0.0092027590421216
+Mac,0.03055171491288014,0.0006387732064337253
+NAA,0.6295874266028975,0.011954880911313298
+NAAG,0.06537321649217702,0.007909854364193307
+PCh,0.00647003569008183,0.003854925331002946
+PCr,0.19943100648176235,0.013951482018752815
+PE,0.11064944195158312,0.012348136110132826
+Scyllo,0.009930816460995428,0.002752559203530551
+Tau,0.05754162336920958,0.011260691595062844
+gamma_0,18.566359079851612,1.1630956375542438
+gamma_1,6.189232790374609,3.7189180694686175
+sigma_0,9.880930276404012,0.8299183797433911
+sigma_1,13.137394150543,5.328367690506499
+eps_0,-2.957074154795708,0.45319731657788204
+eps_1,1.144374532796272,4.309991164816127
+Phi0,0.07768487688468956,0.011579983629068737
+Phi1,0.00028605316342476746,1.7850590168449345e-05
+B_real_0,0.06687254248278009,0.0
+B_imag_0,-0.25392719690030274,5.607473066727768e-17
+B_real_1,-0.09196148398676339,1.401868266681942e-17
+B_imag_1,0.12556497150009663,0.0
+B_real_2,0.3013689427929744,5.607473066727768e-17
+B_imag_2,0.0011219449342614318,0.0

Data/sub-003/MRS/concentrations.csv

+Metabs,mean,mean,mean,mean,std,std,std,std
+,raw,internal,molality,molarity,raw,internal,molality,molarity
+Ala,0.00976068569390006,0.023326893753691083,0.24312788077162065,0.1762433075895977,0.0055553177424002296,0.022946076129311772,0.1383768181949391,0.10030930247489414
+Asc,0.034481412222791316,0.08240653009664609,0.8588938259715821,0.6226118052651791,0.012228996978178728,0.03470456447130217,0.3046107837613554,0.22081224040277783
+Asp,0.07644478378443907,0.18269406528251597,1.9041549805430833,1.380321215604869,0.024648725257126827,0.06180903054475582,0.6139724731872435,0.44506841050093227
+Cr,0.21899957398742673,0.5233832903461813,5.455037072521062,3.954354283160478,0.01282297217930163,0.03590815949271761,0.3194060488081706,0.23153732236474683
+GABA,0.058456307341704344,0.13970371686542818,1.456081935985821,1.055513237334814,0.011640672217500423,0.03352907661585697,0.28995626493399695,0.2101891853213502
+GPC,0.05579915895088136,0.13335344392924958,1.389895309613839,1.0075345772446025,0.004781976230320009,0.021928586096151947,0.11911373680483879,0.08634550215802324
+GSH,0.06754046095885163,0.16141377832164672,1.6823581512850334,1.219540779082071,0.008151866100040442,0.027014882789601798,0.2030539647921934,0.14719374125493198
+Glc,0.08993990084921479,0.21494581191547846,2.2403034147431864,1.6239950867235027,0.0167057158813979,0.04409350505739141,0.4161208983048589,0.30164587969774076
+Gln,0.06407053720028082,0.15312106760561833,1.5959261898104775,1.1568862833352773,0.013352867299785687,0.03699483120184209,0.3326051499486801,0.2411053457227844
+Glu,0.45097812012514604,1.0777848015301874,11.233365980519071,8.143062693952624,0.014581237624970567,0.0395550251264744,0.36320249559946655,0.2632853498582305
+Ins,0.2885401483610231,0.6895771050898839,7.1872158359105995,5.210010004862742,0.006793922308398563,0.024776705094710277,0.16922908746055276,0.12267410064102588
+Lac,0.03372662841267698,0.08060268533638024,0.8400929964039922,0.6089830911172822,0.0092027590421216,0.028878540578605557,0.22923054520249397,0.16616913436186254
+Mac,0.03055171491288014,0.07301501453030104,0.7610094140567787,0.5516554325835427,0.0006387732064337253,0.018777271149147862,0.01591113379165375,0.011533974787432115
+NAA,0.6295874266028975,1.5046400908292525,15.68232617981767,11.368112237305471,0.011954880911313298,0.034154705665989465,0.29778285583574937,0.21586267806639334
+NAAG,0.06537321649217702,0.15623431829211332,1.6283744896017238,1.180408043417742,0.007909854364193307,0.026600797468372444,0.1970257202299136,0.14282386908213424
+PCh,0.00647003569008183,0.015462626280390251,0.16116143016770026,0.11682585896146597,0.003854925331002946,0.02085980501225029,0.09602192465282561,0.06960625637924986
+PCr,0.19943100648176235,0.4766167096538188,4.967605707902705,3.601015473762696,0.013951482018752815,0.038235734844411895,0.34751598025152786,0.2519142008945596
+PE,0.11064944195158312,0.26443918565299684,2.756155169207348,1.9979358258280449,0.012348136110132826,0.03494468119107712,0.3075784077149751,0.22296346986937832
+Scyllo,0.009930816460995428,0.023733486328508628,0.24736564993611665,0.1793152648327637,0.002752559203530551,0.019837574751899255,0.0685632041477408,0.049701440409006176
+Tau,0.05754162336920958,0.1375177294754312,1.4332981702973715,1.0389972943194152,0.011260691595062844,0.03277951706044655,0.2804913680645828,0.20332808520825002
+Cr+PCr,0.4184305804691891,1.0,10.422642780423768,7.555369756923175,0.007830975271228401,0.02646716552781928,0.1950609293011646,0.14139959289091436

Data/sub-003/MRS/options.txt

+{"data": "/home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_004/MRS/FHK/preproc/metab.nii.gz", "basis": "/home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/BasicSpectra_optimization_FHK_SMA_together/slaser_dkd_26_res_50_conj_optimized", "output": "/home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_004/MRS/FHK/fit_long_slaser_dkd_26_res_50_optimized", "algo": "MH", "ignore": null, "keep": null, "combine": null, "ppmlim": [0.2, 4.2], "h2o": "/home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_004/MRS/FHK/preproc/wref.nii.gz", "baseline_order": 2, "metab_groups": ["Mac"], "lorentzian": false, "free_shift": false, "ind_scale": null, "disable_MH_priors": false, "mh_samples": 500, "t1": "/home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_004/MRI/MRI.anat/T1_biascorr.nii.gz", "TE": 26.0, "TR": null, "tissue_frac": {"CSF": 0.04303205750648602, "GM": 0.4702258333509789, "WM": 0.4867421091425351}, "internal_ref": ["Cr", "PCr"], "wref_metabolite": null, "ref_protons": null, "ref_int_limits": null, "h2o_scale": 1.0, "report": true, "verbose": false, "overwrite": true, "conjfid": null, "conjbasis": null, "no_rescale": false, "config": null}
+--------
+Command Line Args:   --data /home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_004/MRS/FHK/preproc/metab.nii.gz --basis /home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/BasicSpectra_optimization_FHK_SMA_together/slaser_dkd_26_res_50_conj_optimized --output /home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_004/MRS/FHK/fit_long_slaser_dkd_26_res_50_optimized --algo MH --metab_groups Mac --overwrite --TE 26 --report --t1 /home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_004/MRI/MRI.anat/T1_biascorr.nii.gz --h2o /home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_004/MRS/FHK/preproc/wref.nii.gz --tissue_frac /home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_004/MRS/FHK/segmentation.json
+Defaults:
+  --ppmlim:          (0.2, 4.2)
+  --baseline_order:  2
+  --mh_samples:      500
+  --internal_ref:    ['Cr', 'PCr']
+  --h2o_scale:       1.0

Data/sub-003/MRS/qc.csv

+Metab,SNR,FWHM
+Ala,3.508215816341954,18.629833092207313
+Asc,10.13319318768422,15.49401635695054
+Asp,7.26145201281179,23.06584296928762
+Cr,134.25161038604574,10.122210056654108
+GABA,11.786463250080397,21.467113918083058
+GPC,102.95286664670455,10.104279610200965
+GSH,35.018196012927994,11.127454101840046
+Glc,16.860319643918,41.45233176521267
+Gln,11.960255548341102,24.573185810650887
+Glu,100.28103251739076,21.52517237380944
+Ins,85.29062992619662,42.233195833267565
+Lac,12.590139335571239,17.86502610320491
+Mac,89.73348659319832,36.153039586097385
+NAA,376.350101796133,10.441311167618204
+NAAG,45.33327742267748,10.846507650614692
+PCh,11.611303814528304,10.595134977669206
+PCr,121.54451715667612,10.202977371717315
+PE,26.50897290671994,18.494390064973388
+Scyllo,11.777410030348113,10.704823303971216
+Tau,15.998634965366252,18.494357517067193

Data/sub-003/MRS/summary.csv

+Metab,/Cr+PCr,/Cr+PCr CRLB,mMol/kg,mMol/kg CRLB,mM,mM CRLB,%CRLB,SNR,FWHM
+Ala,0.023326893753691083,0.022946076129311772,0.24312788077162065,0.1383768181949391,0.1762433075895977,0.10030930247489414,56.91524055397076,3.508215816341954,18.629833092207313
+Asc,0.08240653009664609,0.03470456447130217,0.8588938259715821,0.3046107837613554,0.6226118052651791,0.22081224040277783,35.465476005346666,10.13319318768422,15.49401635695054
+Asp,0.18269406528251597,0.06180903054475582,1.9041549805430833,0.6139724731872435,1.380321215604869,0.44506841050093227,32.24382886166821,7.26145201281179,23.06584296928762
+Cr,0.5233832903461813,0.03590815949271761,5.455037072521062,0.3194060488081706,3.954354283160478,0.23153732236474683,5.855249828037485,134.25161038604574,10.122210056654108
+GABA,0.13970371686542818,0.03352907661585697,1.456081935985821,0.28995626493399695,1.055513237334814,0.2101891853213502,19.91345801139178,11.786463250080397,21.467113918083058
+GPC,0.13335344392924958,0.021928586096151947,1.389895309613839,0.11911373680483879,1.0075345772446025,0.08634550215802324,8.56997904669041,102.95286664670455,10.104279610200965
+GSH,0.16141377832164672,0.027014882789601798,1.6823581512850334,0.2030539647921934,1.219540779082071,0.14719374125493198,12.069603885302007,35.018196012927994,11.127454101840046
+Glc,0.21494581191547846,0.04409350505739141,2.2403034147431864,0.4161208983048589,1.6239950867235027,0.30164587969774076,18.57430987099398,16.860319643918,41.45233176521267
+Gln,0.15312106760561833,0.03699483120184209,1.5959261898104775,0.3326051499486801,1.1568862833352773,0.2411053457227844,20.84088550412086,11.960255548341102,24.573185810650887
+Glu,1.0777848015301874,0.0395550251264744,11.233365980519071,0.36320249559946655,8.143062693952624,0.2632853498582305,3.233247240669744,100.28103251739076,21.52517237380944
+Ins,0.6895771050898839,0.024776705094710277,7.1872158359105995,0.16922908746055276,5.210010004862742,0.12267410064102588,2.3545847421891417,85.29062992619662,42.233195833267565
+Lac,0.08060268533638024,0.028878540578605557,0.8400929964039922,0.22923054520249397,0.6089830911172822,0.16616913436186254,27.286329749648253,12.590139335571239,17.86502610320491
+Mac,0.07301501453030104,0.018777271149147862,0.7610094140567787,0.01591113379165375,0.5516554325835427,0.011533974787432115,2.0907932934541367,89.73348659319832,36.153039586097385
+NAA,1.5046400908292525,0.034154705665989465,15.68232617981767,0.29778285583574937,11.368112237305471,0.21586267806639334,1.8988436563638134,376.350101796133,10.441311167618204
+NAAG,0.15623431829211332,0.026600797468372444,1.6283744896017238,0.1970257202299136,1.180408043417742,0.14282386908213424,12.099533706039768,45.33327742267748,10.846507650614692
+PCh,0.015462626280390251,0.02085980501225029,0.16116143016770026,0.09602192465282561,0.11682585896146597,0.06960625637924986,59.58120659075051,11.611303814528304,10.595134977669206
+PCr,0.4766167096538188,0.038235734844411895,4.967605707902705,0.34751598025152786,3.601015473762696,0.2519142008945596,6.995643388095048,121.54451715667612,10.202977371717315
+PE,0.26443918565299684,0.03494468119107712,2.756155169207348,0.3075784077149751,1.9979358258280449,0.22296346986937832,11.159691266708784,26.50897290671994,18.494390064973388
+Scyllo,0.023733486328508628,0.019837574751899255,0.24736564993611665,0.0685632041477408,0.1793152648327637,0.049701440409006176,27.71735047507508,11.777410030348113,10.704823303971216
+Tau,0.1375177294754312,0.03277951706044655,1.4332981702973715,0.2804913680645828,1.0389972943194152,0.20332808520825002,19.56964530320919,15.998634965366252,18.494357517067193
+Cr+PCr,1.0,0.02646716552781928,10.422642780423768,0.1950609293011646,7.555369756923175,0.14139959289091436,1.871511222350784,,

Data/sub-004/MRS/all_parameters.csv

+parameter,mean,std
+Ala,0.004618863303638881,0.0037222567658482778
+Asc,0.0534688042315967,0.020848972307100613
+Asp,0.15601884347675105,0.031195205634388202
+Cr,0.28319291385776685,0.018013021685157605
+GABA,0.09705743341145975,0.01916314850059785
+GPC,0.06547661717713461,0.011070228958150295
+GSH,0.08634278399529151,0.010886089377749075
+Glc,0.11118350172093262,0.02191845771574447
+Gln,0.10310930103898068,0.026807561659818138
+Glu,0.4946160580262162,0.02538383620073176
+Ins,0.4161541928999091,0.01309523599984825
+Lac,0.003239452658758779,0.003515147661871871
+Mac,0.026945833212412933,0.0008703706650589666
+NAA,0.7263346283912208,0.01392402032930184
+NAAG,0.10308216230372402,0.012005099892076265
+PCh,0.028324019237685447,0.011154051915633886
+PCr,0.2534922155153886,0.02113591694404285
+PE,0.11577796312640856,0.01975677607664918
+Scyllo,0.016624511639861908,0.006133372250028753
+Tau,0.09218126217776028,0.018116952479725265
+gamma_0,29.939071417662575,1.3082202568016017
+gamma_1,8.293551981398517,5.014853452156921
+sigma_0,5.1956942206002505,2.045992818680973
+sigma_1,13.948368744339554,6.717802420934299
+eps_0,3.368914226698875,0.6618697990924399
+eps_1,5.097679603421766,5.369529398272485
+Phi0,0.06178206419873499,0.01395289027647882
+Phi1,0.000400240937062252,2.2672642085953646e-05
+B_real_0,0.04156820759464561,7.00934133340971e-18
+B_imag_0,-0.3864758660325089,0.0
+B_real_1,-0.5022535686731566,1.1214946133455537e-16
+B_imag_1,0.026185588127209752,0.0
+B_real_2,-0.15279557663193313,0.0
+B_imag_2,0.07248431946073852,0.0

Data/sub-004/MRS/concentrations.csv

+Metabs,mean,mean,mean,mean,std,std,std,std
+,raw,internal,molality,molarity,raw,internal,molality,molarity
+Ala,0.004618863303638881,0.008606281506315785,0.1104655318424586,0.0804646718700742,0.0037222567658482778,0.025294222552925332,0.08902213515816303,0.06484499531392973
+Asc,0.0534688042315967,0.09962788477863715,1.278769149061056,0.9314737209025304,0.020848972307100613,0.04583488632650168,0.498627619582964,0.36320748314795237
+Asp,0.15601884347675105,0.29070834077139424,3.7313735846061045,2.7179858377741577,0.031195205634388202,0.06301026121552429,0.7460699212775347,0.5434479914815824
+Cr,0.28319291385776685,0.5276705061467499,6.772890598140896,4.933470291606829,0.018013021685157605,0.04145119862602429,0.43080253511140615,0.3138027224453356
+GABA,0.09705743341145975,0.1808461388241224,2.321242326572901,1.6908260796226573,0.01916314850059785,0.04320473132267703,0.45830916650571185,0.33383894580368073
+GPC,0.06547661717713461,0.12200192178533223,1.5659500756428382,1.1406604114414627,0.011070228958150295,0.03189309608305212,0.2647575061414867,0.19285315067505615
+GSH,0.08634278399529151,0.16088164040643216,2.0649889221194635,1.504167438134906,0.010886089377749075,0.03167227172330092,0.2603535921598275,0.1896452768019315
+Glc,0.11118350172093262,0.2071670997308873,2.6590838139837656,1.9369146465738594,0.02191845771574447,0.04753563103398948,0.5242056171761201,0.3818388620866975
+Gln,0.10310930103898068,0.1921225228644059,2.4659798371174486,1.7962549505021987,0.026807561659818138,0.0555582847113582,0.6411342708103748,0.46701136422345496
+Glu,0.4946160580262162,0.9216131227707473,11.82932299915454,8.616647905426017,0.02538383620073176,0.053185928491255786,0.6070842070399832,0.4422088112212471
+Ins,0.4161541928999091,0.7754159191740125,9.952815492708012,7.249773023736313,0.01309523599984825,0.03445381472538545,0.3131879240041794,0.22813055908340746
+Lac,0.003239452658758779,0.006036039535029483,0.07747530881598762,0.056434122010129095,0.003515147661871871,0.025191141840251747,0.08406887808685189,0.06123697208456992
+Mac,0.026945833212412933,0.050207899823655415,0.6444411971236157,0.4694201766037089,0.0008703706650589666,0.02437877407329839,0.020815935024547365,0.015162624517190844
+NAA,0.7263346283912208,1.3533720027599325,17.371144315446443,12.653389741005686,0.01392402032930184,0.03556418065087731,0.33300927304987615,0.24256871296165794
+NAAG,0.10308216230372402,0.19207195553214468,2.465330782441746,1.7957821698018746,0.012005099892076265,0.033046420224932184,0.28711604072700436,0.20913942675513827
+PCh,0.028324019237685447,0.052775859973552296,0.6774021319362202,0.4934293925101653,0.011154051915633886,0.03199433236007483,0.2667622304579084,0.19431342051326128
+PCr,0.2534922155153886,0.4723294938532502,6.062563571164703,4.416057935075576,0.02113591694404285,0.04628891174304224,0.5054902370378241,0.3682063117641282
+PE,0.11577796312640856,0.2157279134259532,2.768965745818748,2.0169542158592475,0.01975677607664918,0.0441232615543206,0.47250646605627394,0.34418046166589866
+Scyllo,0.016624511639861908,0.03097628521826052,0.39759468925432134,0.2896136530058917,0.006133372250028753,0.026875629458836398,0.1466867891616163,0.10684875327805703
+Tau,0.09218126217776028,0.1717604180414452,2.2046229738717407,1.6058788767052619,0.018116952479725265,0.04160815690126819,0.43328816192951985,0.3156132885375372
+Cr+PCr,0.5366851293731555,1.0000000000000002,12.835454169305601,9.349528226682407,0.013054743518060675,0.03440042275459985,0.31221949882200056,0.22742514434258254

Data/sub-004/MRS/options.txt

+{"data": "/home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_005/MRS/FHK/preproc/metab.nii.gz", "basis": "/home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/BasicSpectra_optimization_FHK_SMA_together/slaser_dkd_26_res_50_conj_optimized", "output": "/home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_005/MRS/FHK/fit_long_slaser_dkd_26_res_50_optimized", "algo": "MH", "ignore": null, "keep": null, "combine": null, "ppmlim": [0.2, 4.2], "h2o": "/home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_005/MRS/FHK/preproc/wref.nii.gz", "baseline_order": 2, "metab_groups": ["Mac"], "lorentzian": false, "free_shift": false, "ind_scale": null, "disable_MH_priors": false, "mh_samples": 500, "t1": "/home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_005/MRI/MRI.anat/T1_biascorr.nii.gz", "TE": 26.0, "TR": null, "tissue_frac": {"CSF": 0.13678490566037738, "GM": 0.266485534591195, "WM": 0.5967295597484277}, "internal_ref": ["Cr", "PCr"], "wref_metabolite": null, "ref_protons": null, "ref_int_limits": null, "h2o_scale": 1.0, "report": true, "verbose": false, "overwrite": true, "conjfid": null, "conjbasis": null, "no_rescale": false, "config": null}
+--------
+Command Line Args:   --data /home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_005/MRS/FHK/preproc/metab.nii.gz --basis /home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/BasicSpectra_optimization_FHK_SMA_together/slaser_dkd_26_res_50_conj_optimized --output /home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_005/MRS/FHK/fit_long_slaser_dkd_26_res_50_optimized --algo MH --metab_groups Mac --overwrite --TE 26 --report --t1 /home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_005/MRI/MRI.anat/T1_biascorr.nii.gz --h2o /home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_005/MRS/FHK/preproc/wref.nii.gz --tissue_frac /home/fs0/pjs942/scratch/STR7THS_analyzedData_230223/STR7T_HS_005/MRS/FHK/segmentation.json
+Defaults:
+  --ppmlim:          (0.2, 4.2)
+  --baseline_order:  2
+  --mh_samples:      500
+  --internal_ref:    ['Cr', 'PCr']
+  --h2o_scale:       1.0

Data/sub-004/MRS/qc.csv

+Metab,SNR,FWHM
+Ala,0.7964628501490516,20.35348493565759
+Asc,7.3237151192259615,17.062225734121245
+Asp,7.1956899563803995,24.40696572385475
+Cr,76.39310261653634,11.424588233927464
+GABA,9.274736663061942,23.544627706908532
+GPC,52.25539253646868,11.887292976061724
+GSH,20.091220480229406,12.9975106058198
+Glc,10.458551816227319,43.483508764145334
+Gln,9.39790456994752,26.246771547034363
+Glu,52.388964243032895,23.954477095708384
+Ins,59.50435673100131,44.197833694076245
+Lac,0.5661047640700767,19.54159842963198
+Mac,42.789154751933495,35.285311280605995
+NAA,192.67421739494176,11.701078834036672
+NAAG,31.32069379463844,13.189602921072094
+PCh,22.874546036241956,11.587680140485952
+PCr,66.20701283144396,12.259763363746309
+PE,13.126331788663785,19.77535484998636
+Scyllo,8.922158112174857,11.829840720982652
+Tau,12.185031057433857,20.4544747232284

Data/sub-004/MRS/summary.csv

+Metab,/Cr+PCr,/Cr+PCr CRLB,mMol/kg,mMol/kg CRLB,mM,mM CRLB,%CRLB,SNR,FWHM
+Ala,0.008606281506315785,0.025294222552925332,0.1104655318424586,0.08902213515816303,0.0804646718700742,0.06484499531392973,80.58815602782119,0.7964628501490516,20.35348493565759
+Asc,0.09962788477863715,0.04583488632650168,1.278769149061056,0.498627619582964,0.9314737209025304,0.36320748314795237,38.99277832508582,7.3237151192259615,17.062225734121245
+Asp,0.29070834077139424,0.06301026121552429,3.7313735846061045,0.7460699212775347,2.7179858377741577,0.5434479914815824,19.994511521319357,7.1956899563803995,24.40696572385475
+Cr,0.5276705061467499,0.04145119862602429,6.772890598140896,0.43080253511140615,4.933470291606829,0.3138027224453356,6.360689411248692,76.39310261653634,11.424588233927464
+GABA,0.1808461388241224,0.04320473132267703,2.321242326572901,0.45830916650571185,1.6908260796226573,0.33383894580368073,19.744132754220576,9.274736663061942,23.544627706908532
+GPC,0.12200192178533223,0.03189309608305212,1.5659500756428382,0.2647575061414867,1.1406604114414627,0.19285315067505615,16.907148590468385,52.25539253646868,11.887292976061724
+GSH,0.16088164040643216,0.03167227172330092,2.0649889221194635,0.2603535921598275,1.504167438134906,0.1896452768019315,12.607989775199652,20.091220480229406,12.9975106058198
+Glc,0.2071670997308873,0.04753563103398948,2.6590838139837656,0.5242056171761201,1.9369146465738594,0.3818388620866975,19.713768118905957,10.458551816227319,43.483508764145334
+Gln,0.1921225228644059,0.0555582847113582,2.4659798371174486,0.6411342708103748,1.7962549505021987,0.46701136422345496,25.999169221100125,9.39790456994752,26.246771547034363
+Glu,0.9216131227707473,0.053185928491255786,11.82932299915454,0.6070842070399832,8.616647905426017,0.4422088112212471,5.132028325571738,52.388964243032895,23.954477095708384
+Ins,0.7754159191740125,0.03445381472538545,9.952815492708012,0.3131879240041794,7.249773023736313,0.22813055908340746,3.1467269159529616,59.50435673100131,44.197833694076245
+Lac,0.006036039535029483,0.025191141840251747,0.07747530881598762,0.08406887808685189,0.056434122010129095,0.06123697208456992,108.51054274146195,0.5661047640700767,19.54159842963198
+Mac,0.050207899823655415,0.02437877407329839,0.6444411971236157,0.020815935024547365,0.4694201766037089,0.015162624517190844,3.2300751592940893,42.789154751933495,35.285311280605995
+NAA,1.3533720027599325,0.03556418065087731,17.371144315446443,0.33300927304987615,12.653389741005686,0.24256871296165794,1.9170255396114801,192.67421739494176,11.701078834036672
+NAAG,0.19207195553214468,0.033046420224932184,2.465330782441746,0.28711604072700436,1.7957821698018746,0.20913942675513827,11.646146747197754,31.32069379463844,13.189602921072094
+PCh,0.052775859973552296,0.03199433236007483,0.6774021319362202,0.2667622304579084,0.4934293925101653,0.19431342051326128,39.3801876140279,22.874546036241956,11.587680140485952
+PCr,0.4723294938532502,0.04628891174304224,6.062563571164703,0.5054902370378241,4.416057935075576,0.3682063117641282,8.337895860458785,66.20701283144396,12.259763363746309
+PE,0.2157279134259532,0.0441232615543206,2.768965745818748,0.47250646605627394,2.0169542158592475,0.34418046166589866,17.064366605826674,13.126331788663785,19.77535484998636
+Scyllo,0.03097628521826052,0.026875629458836398,0.39759468925432134,0.1466867891616163,0.2896136530058917,0.10684875327805703,36.893548411505094,8.922158112174857,11.829840720982652
+Tau,0.1717604180414452,0.04160815690126819,2.2046229738717407,0.43328816192951985,1.6058788767052619,0.3156132885375372,19.653617288065487,12.185031057433857,20.4544747232284
+Cr+PCr,1.0000000000000002,0.03440042275459985,12.835454169305601,0.31221949882200056,9.349528226682407,0.22742514434258254,2.4324772205461564,,