Mon Jul 04 16:10:25.075 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:10:25.077 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G2_OS_Plate01_G2\1\pdata\1
Mon Jul 04 16:10:25.085 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:10:25.088 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:10:25.091 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:10:25.124 CEST 2022: No HSQC data available
Mon Jul 04 16:10:25.139 CEST 2022: No C13 data available
Mon Jul 04 16:10:25.154 CEST 2022: No HMBC data available
Mon Jul 04 16:10:25.174 CEST 2022: Elapsed time for evaluation (XD Suite): 0.02 s.
Mon Jul 04 16:10:25.191 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:10:25.348 CEST 2022: Structure is used: true
Mon Jul 04 16:10:25.369 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G2_OS_Plate01_G2/1/G2_OS_Plate1_G2-9e925a96-5526-49cd-b70f-b3b82679aded.mol
Mon Jul 04 16:10:25.372 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.18 s.
Mon Jul 04 16:10:25.416 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:10:25.419 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.04 s.
Mon Jul 04 16:10:25.421 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:10:25.424 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:10:25.426 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:10:25.428 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:10:25.431 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:10:25.435 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:10:25.437 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:10:25.440 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:10:25.443 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:10:25.445 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 16:10:25.452 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:10:25.455 CEST 2022: RMSD noise: 30988139.987 (5.315/4.815)
Mon Jul 04 16:10:25.457 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:10:25.460 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:10:25.464 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:10:25.487 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:10:25.612 CEST 2022: Number of Peaks: (117, 21)
Mon Jul 04 16:10:25.615 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:10:25.618 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:10:25.679 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:10:25.682 CEST 2022: Signal-to-Noise ratio: 1697.07 (0.836 ppm)
Mon Jul 04 16:10:25.685 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:10:25.688 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:10:25.690 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.32 s.
Mon Jul 04 16:10:25.717 CEST 2022: Number of Multiplets: 170
Mon Jul 04 16:10:25.720 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:10:25.788 CEST 2022: Number of Peak Cluster: 36
Mon Jul 04 16:10:25.794 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:10:25.801 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:10:25.963 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:10:25.970 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:10:25.975 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:10:25.981 CEST 2022: Number of consistent PNS: 8
Mon Jul 04 16:10:25.983 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:10:25.986 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:10:30.545 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 4.56 s.
Mon Jul 04 16:10:30.762 CEST 2022: Elapsed time for evaluation (IN Suite): 0.20 s.
Mon Jul 04 16:10:30.815 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:10:31.189 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:10:31.192 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:10:31.195 CEST 2022: CMC-q finished in 6.12 s.
