Mon Jul 04 16:16:31.894 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:16:31.896 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B5_OS_Plate09_B5\1\pdata\1
Mon Jul 04 16:16:31.905 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:16:31.909 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:16:31.911 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:16:31.971 CEST 2022: No HSQC data available
Mon Jul 04 16:16:31.983 CEST 2022: No C13 data available
Mon Jul 04 16:16:31.996 CEST 2022: No HMBC data available
Mon Jul 04 16:16:32.004 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:16:32.025 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:16:32.141 CEST 2022: Structure is used: true
Mon Jul 04 16:16:32.165 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B5_OS_Plate09_B5/1/B5_OS_Plate9_B5-a806d949-cfef-4cb1-84db-1b2674f5807f.mol
Mon Jul 04 16:16:32.167 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:16:32.191 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:16:32.193 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:16:32.197 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:16:32.199 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:16:32.201 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:16:32.204 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:16:32.206 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:16:32.210 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:16:32.212 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:16:32.215 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:16:32.218 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:16:32.220 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 16:16:32.223 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:16:32.225 CEST 2022: RMSD noise: 31165419.364 (5.315/4.815)
Mon Jul 04 16:16:32.227 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:16:32.230 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:16:32.234 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:16:32.258 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:16:32.348 CEST 2022: Number of Peaks: (82, 17)
Mon Jul 04 16:16:32.351 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:16:32.354 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:16:32.421 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.07 s.
Mon Jul 04 16:16:32.424 CEST 2022: Signal-to-Noise ratio: 642.74 (0.826 ppm)
Mon Jul 04 16:16:32.427 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:16:32.430 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:16:32.432 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:16:32.452 CEST 2022: Number of Multiplets: 132
Mon Jul 04 16:16:32.455 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:16:32.498 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:16:32.504 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:16:32.521 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:16:32.667 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:16:32.674 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:16:32.678 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:16:32.682 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:16:32.685 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:16:32.687 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:16:34.382 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 1.69 s.
Mon Jul 04 16:16:36.608 CEST 2022: Elapsed time for evaluation (IN Suite): 2.21 s.
Mon Jul 04 16:16:36.660 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:16:37.005 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:16:37.008 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:16:37.010 CEST 2022: CMC-q finished in 5.12 s.
