Mon Jul 04 16:22:19.417 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:22:19.420 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A7_OS_Plate011_A7\1\pdata\1
Mon Jul 04 16:22:19.427 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:22:19.431 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:22:19.434 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:22:19.471 CEST 2022: No HSQC data available
Mon Jul 04 16:22:19.482 CEST 2022: No C13 data available
Mon Jul 04 16:22:19.491 CEST 2022: No HMBC data available
Mon Jul 04 16:22:19.508 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:22:19.531 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:22:19.824 CEST 2022: Structure is used: true
Mon Jul 04 16:22:19.828 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A7_OS_Plate011_A7/1/A7_OS_Plate11_A7-c702b7c2-1fc1-484b-85a9-296038b97c72.mol
Mon Jul 04 16:22:19.830 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.30 s.
Mon Jul 04 16:22:19.843 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:22:19.845 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:22:19.848 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:22:19.851 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:22:19.877 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:22:19.880 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:22:19.883 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon Jul 04 16:22:19.888 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:22:19.891 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:22:19.894 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:22:19.896 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:22:19.898 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 16:22:19.901 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:22:19.903 CEST 2022: RMSD noise: 31682308.259 (10.217/9.717)
Mon Jul 04 16:22:19.906 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:22:19.909 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:22:19.913 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:22:19.938 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:22:20.020 CEST 2022: Number of Peaks: (63, 3)
Mon Jul 04 16:22:20.023 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:22:20.026 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:22:20.073 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:22:20.076 CEST 2022: Signal-to-Noise ratio: 2891.46 (8.577 ppm)
Mon Jul 04 16:22:20.079 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:22:20.082 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:20.085 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:22:20.099 CEST 2022: Number of Multiplets: 98
Mon Jul 04 16:22:20.102 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:22:20.140 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:22:20.146 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:22:20.160 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:22:20.295 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:22:20.301 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:22:20.306 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:22:20.309 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:22:20.311 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:22:20.314 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:22:20.319 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:22:20.333 CEST 2022: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon Jul 04 16:22:20.385 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:22:20.733 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:22:20.736 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:20.739 CEST 2022: CMC-q finished in 1.32 s.
