Mon Jul 04 16:40:29.335 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:40:29.337 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G2_OS_Plate04_G2\1\pdata\1
Mon Jul 04 16:40:29.344 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:40:29.348 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:40:29.351 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:40:29.446 CEST 2022: No HSQC data available
Mon Jul 04 16:40:29.460 CEST 2022: No C13 data available
Mon Jul 04 16:40:29.474 CEST 2022: No HMBC data available
Mon Jul 04 16:40:29.481 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:40:29.548 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon Jul 04 16:40:29.678 CEST 2022: Structure is used: true
Mon Jul 04 16:40:29.699 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G2_OS_Plate04_G2/1/G2_OS_Plate04_G2-55a5fd00-119c-4ac9-bf94-b221942e4208.mol
Mon Jul 04 16:40:29.702 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:40:29.708 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:40:29.710 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:40:29.713 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:40:29.715 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:40:29.718 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:40:29.720 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:40:29.722 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:40:29.727 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:40:29.729 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:40:29.732 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:40:29.734 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:40:29.736 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 16:40:29.739 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:40:29.741 CEST 2022: RMSD noise: 30707040.507 (-2.040/-2.539)
Mon Jul 04 16:40:29.743 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:40:29.746 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:40:29.750 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:40:29.774 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:40:29.844 CEST 2022: Number of Peaks: (61, 8)
Mon Jul 04 16:40:29.847 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:40:29.849 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:40:29.894 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:40:29.897 CEST 2022: Signal-to-Noise ratio: 536.52 (1.157 ppm)
Mon Jul 04 16:40:29.900 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:40:29.902 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:29.905 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:40:29.922 CEST 2022: Number of Multiplets: 115
Mon Jul 04 16:40:29.925 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:40:29.955 CEST 2022: Number of Peak Cluster: 15
Mon Jul 04 16:40:29.961 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.03 s.
Mon Jul 04 16:40:29.966 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:40:30.107 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:40:30.127 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:40:30.131 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:40:30.135 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:40:30.137 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:40:30.141 CEST 2022: Number of consistent PNS: 15
Mon Jul 04 16:40:30.144 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:40:30.147 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:40:30.149 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:30.652 CEST 2022: Elapsed time for evaluation (BU Suite): 0.51 s.
Mon Jul 04 16:40:30.701 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:40:30.703 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:40:31.060 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:40:31.063 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:31.065 CEST 2022: CMC-q finished in 1.73 s.
