Mon Jul 04 16:22:49.305 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:22:49.307 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E8_OS_Plate011_E8\1\pdata\1
Mon Jul 04 16:22:49.314 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:22:49.318 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:22:49.321 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:22:49.662 CEST 2022: No HSQC data available
Mon Jul 04 16:22:49.674 CEST 2022: No C13 data available
Mon Jul 04 16:22:49.686 CEST 2022: No HMBC data available
Mon Jul 04 16:22:49.693 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:22:49.711 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:22:49.798 CEST 2022: Structure is used: true
Mon Jul 04 16:22:49.801 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E8_OS_Plate011_E8/1/E8_OS_Plate11_E8-775a533f-5393-44a6-be3c-2145680d1886.mol
Mon Jul 04 16:22:49.803 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:22:49.810 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:22:49.812 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:22:49.815 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:22:49.818 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:22:49.820 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:22:49.822 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:22:49.825 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:22:49.829 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:22:49.831 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:22:49.834 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:22:49.836 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:22:49.839 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 16:22:49.841 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:22:49.843 CEST 2022: RMSD noise: 29705112.526 (-2.040/-2.539)
Mon Jul 04 16:22:49.846 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:22:49.849 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:22:49.852 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:22:49.877 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:22:49.953 CEST 2022: Number of Peaks: (61, 10)
Mon Jul 04 16:22:49.957 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:22:49.959 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:22:50.006 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:22:50.009 CEST 2022: Signal-to-Noise ratio: 780.64 (7.675 ppm)
Mon Jul 04 16:22:50.012 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:22:50.014 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:50.017 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:22:50.029 CEST 2022: Number of Multiplets: 77
Mon Jul 04 16:22:50.031 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:22:50.069 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:22:50.075 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:22:50.087 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:22:50.217 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:22:50.252 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:22:50.256 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:22:50.260 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:22:50.262 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:22:50.264 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:22:50.293 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:22:50.389 CEST 2022: Elapsed time for evaluation (IN Suite): 0.09 s.
Mon Jul 04 16:22:50.441 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:22:50.807 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:22:50.810 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:50.812 CEST 2022: CMC-q finished in 1.51 s.
