Mon Jul 04 16:17:39.534 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:17:39.537 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E7_OS_Plate09_E7\1\pdata\1
Mon Jul 04 16:17:39.544 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:17:39.547 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:17:39.551 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:17:39.646 CEST 2022: No HSQC data available
Mon Jul 04 16:17:39.658 CEST 2022: No C13 data available
Mon Jul 04 16:17:39.670 CEST 2022: No HMBC data available
Mon Jul 04 16:17:39.682 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:17:39.699 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:17:39.804 CEST 2022: Structure is used: true
Mon Jul 04 16:17:39.808 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E7_OS_Plate09_E7/1/E7_OS_Plate9_E7-4802a4e8-5489-4db6-bab0-eccc4450f965.mol
Mon Jul 04 16:17:39.810 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:17:39.816 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:17:39.818 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:17:39.822 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:17:39.824 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:17:39.826 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:17:39.828 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:17:39.831 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:17:39.835 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:17:39.838 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:17:39.841 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:17:39.843 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:17:39.845 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 16:17:39.848 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:17:39.850 CEST 2022: RMSD noise: 30875905.843 (10.217/9.717)
Mon Jul 04 16:17:39.852 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:17:39.855 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:17:39.859 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:17:39.883 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:17:39.957 CEST 2022: Number of Peaks: (66, 10)
Mon Jul 04 16:17:39.961 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:17:39.963 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:17:40.015 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:17:40.018 CEST 2022: Signal-to-Noise ratio: 1116.69 (3.126 ppm)
Mon Jul 04 16:17:40.021 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:17:40.023 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:17:40.025 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:17:40.039 CEST 2022: Number of Multiplets: 96
Mon Jul 04 16:17:40.042 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:17:40.082 CEST 2022: Number of Peak Cluster: 26
Mon Jul 04 16:17:40.088 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:17:40.094 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:17:40.228 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:17:40.234 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:17:40.239 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:17:40.242 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:17:40.245 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:17:40.247 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:17:40.285 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:17:40.444 CEST 2022: Elapsed time for evaluation (IN Suite): 0.13 s.
Mon Jul 04 16:17:40.491 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:17:40.832 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:17:40.835 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:17:40.837 CEST 2022: CMC-q finished in 1.30 s.
