Mon Jul 04 16:12:20.645 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:12:20.648 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G7_OS_Plate01_G7\1\pdata\1
Mon Jul 04 16:12:20.656 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:12:20.660 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:12:20.663 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:12:20.714 CEST 2022: No HSQC data available
Mon Jul 04 16:12:20.725 CEST 2022: No C13 data available
Mon Jul 04 16:12:20.735 CEST 2022: No HMBC data available
Mon Jul 04 16:12:20.759 CEST 2022: Elapsed time for evaluation (XD Suite): 0.02 s.
Mon Jul 04 16:12:20.778 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:12:20.874 CEST 2022: Structure is used: true
Mon Jul 04 16:12:20.877 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G7_OS_Plate01_G7/1/G7_OS_Plate1_G7-a3215c77-649a-4079-81c4-3bf1fa56371e.mol
Mon Jul 04 16:12:20.879 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:12:20.885 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:12:20.887 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:12:21.098 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.21 s.
Mon Jul 04 16:12:21.101 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:12:21.103 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:12:21.106 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:12:21.108 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:12:21.113 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:12:21.115 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:12:21.118 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:12:21.121 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:12:21.123 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 16:12:21.125 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:12:21.128 CEST 2022: RMSD noise: 29373640.180 (-2.860/-3.359)
Mon Jul 04 16:12:21.130 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:12:21.133 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:12:21.138 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:12:21.167 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:12:21.262 CEST 2022: Number of Peaks: (56, 13)
Mon Jul 04 16:12:21.265 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:12:21.267 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:12:21.371 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.10 s.
Mon Jul 04 16:12:21.373 CEST 2022: Signal-to-Noise ratio: 3880.84 (1.661 ppm)
Mon Jul 04 16:12:21.376 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:12:21.379 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:12:21.381 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon Jul 04 16:12:21.394 CEST 2022: Number of Multiplets: 87
Mon Jul 04 16:12:21.397 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:12:21.434 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:12:21.440 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:12:21.451 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:12:21.566 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:12:21.572 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:12:21.576 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:12:21.580 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:12:21.582 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:12:21.586 CEST 2022: Number of consistent PNS: 25
Mon Jul 04 16:12:21.589 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:12:21.592 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:12:21.594 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:12:22.100 CEST 2022: Elapsed time for evaluation (BU Suite): 0.52 s.
Mon Jul 04 16:12:22.148 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:12:22.150 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:12:22.535 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 16:12:22.539 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:12:22.541 CEST 2022: CMC-q finished in 1.90 s.
