Mon Jul 04 16:46:24.390 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:46:24.393 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G3_OS_Plate05_G3\1\pdata\1
Mon Jul 04 16:46:24.401 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:46:24.404 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:46:24.407 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:46:24.458 CEST 2022: No HSQC data available
Mon Jul 04 16:46:24.470 CEST 2022: No C13 data available
Mon Jul 04 16:46:24.481 CEST 2022: No HMBC data available
Mon Jul 04 16:46:24.488 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:46:24.508 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:46:24.607 CEST 2022: Structure is used: true
Mon Jul 04 16:46:24.626 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G3_OS_Plate05_G3/1/3_OS_Plate05_G3.mol
Mon Jul 04 16:46:24.629 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:46:24.635 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:46:24.638 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:46:24.641 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:46:24.643 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:46:24.646 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:46:24.648 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:46:24.651 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:46:24.656 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:46:24.658 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:46:24.661 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:46:24.664 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:46:24.666 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 16:46:24.668 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:46:24.672 CEST 2022: RMSD noise: 29854250.994 (-0.405/-0.905)
Mon Jul 04 16:46:24.675 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:46:24.677 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:46:24.682 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:46:24.706 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:46:24.778 CEST 2022: Number of Peaks: (55, 15)
Mon Jul 04 16:46:24.781 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:46:24.783 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:46:24.801 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:46:24.804 CEST 2022: Signal-to-Noise ratio: 6659.14 (2.131 ppm)
Mon Jul 04 16:46:24.806 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:46:24.809 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:24.811 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.18 s.
Mon Jul 04 16:46:24.822 CEST 2022: Number of Multiplets: 78
Mon Jul 04 16:46:24.825 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:46:24.868 CEST 2022: Number of Peak Cluster: 26
Mon Jul 04 16:46:24.874 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:46:24.881 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:46:24.996 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:46:25.001 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:46:25.006 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:46:25.009 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:46:25.012 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:46:25.015 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:46:25.027 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:46:25.076 CEST 2022: Elapsed time for evaluation (IN Suite): 0.05 s.
Mon Jul 04 16:46:25.128 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:46:25.490 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:46:25.493 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:25.496 CEST 2022: CMC-q finished in 1.11 s.
