Mon Jul 04 16:48:24.901 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:48:24.903 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B8_OS_Plate05_B8\1\pdata\1
Mon Jul 04 16:48:24.911 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:48:24.915 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:48:24.918 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:48:25.344 CEST 2022: No HSQC data available
Mon Jul 04 16:48:25.357 CEST 2022: No C13 data available
Mon Jul 04 16:48:25.368 CEST 2022: No HMBC data available
Mon Jul 04 16:48:25.376 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:48:25.396 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:48:25.506 CEST 2022: Structure is used: true
Mon Jul 04 16:48:25.524 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B8_OS_Plate05_B8/1/8_OS_Plate05_B8.mol
Mon Jul 04 16:48:25.526 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:48:25.544 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:48:25.547 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:48:25.550 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:48:25.552 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:48:25.554 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:48:25.557 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:48:25.559 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:48:25.563 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:48:25.566 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:48:25.569 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:48:25.571 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:48:25.573 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 16:48:25.575 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:48:25.578 CEST 2022: RMSD noise: 28976885.575 (12.668/12.168)
Mon Jul 04 16:48:25.580 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:48:25.583 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:48:25.586 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:48:25.610 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:48:25.700 CEST 2022: Number of Peaks: (76, 15)
Mon Jul 04 16:48:25.703 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:48:25.705 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:48:25.718 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:48:25.721 CEST 2022: Signal-to-Noise ratio: 6278.89 (1.929 ppm)
Mon Jul 04 16:48:25.724 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:48:25.726 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:25.728 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:48:25.742 CEST 2022: Number of Multiplets: 104
Mon Jul 04 16:48:25.744 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:48:25.933 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:48:25.939 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.19 s.
Mon Jul 04 16:48:25.945 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:48:26.078 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:48:26.083 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:48:26.088 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:48:26.091 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:48:26.094 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:48:26.096 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:48:26.107 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:48:26.166 CEST 2022: Elapsed time for evaluation (IN Suite): 0.06 s.
Mon Jul 04 16:48:26.214 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:48:26.560 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:48:26.563 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:26.566 CEST 2022: CMC-q finished in 1.67 s.
