Tue Jul 05 12:16:00.269 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:16:00.271 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C10_EUOS_Plate10_C10\1\pdata\1
Tue Jul 05 12:16:00.280 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:16:00.284 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:16:00.287 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:16:00.626 CEST 2022: No HSQC data available
Tue Jul 05 12:16:00.637 CEST 2022: No C13 data available
Tue Jul 05 12:16:00.650 CEST 2022: No HMBC data available
Tue Jul 05 12:16:00.668 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Tue Jul 05 12:16:00.690 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:16:00.813 CEST 2022: Structure is used: true
Tue Jul 05 12:16:00.816 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C10_EUOS_Plate10_C10/1/C10_EUOS_Plate10_C10-bb0be7b7-e7bf-4d19-a260-b406bb249416.mol
Tue Jul 05 12:16:00.818 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Tue Jul 05 12:16:00.829 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:16:00.831 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:16:00.834 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:16:00.837 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:16:00.839 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:16:00.841 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:16:00.844 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:16:00.848 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:16:00.851 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:16:00.854 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:16:00.856 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:16:00.859 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]
Tue Jul 05 12:16:00.861 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.5, protonShiftLimitBPpm=0.1, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:16:00.864 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:16:00.866 CEST 2022: RMSD noise: 18953552.652 (8.722/8.222)
Tue Jul 05 12:16:00.868 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:16:00.871 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:16:00.875 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:16:00.900 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:16:00.999 CEST 2022: Number of Peaks: (80, 19)
Tue Jul 05 12:16:01.025 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Tue Jul 05 12:16:01.028 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:16:01.089 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Tue Jul 05 12:16:01.092 CEST 2022: Signal-to-Noise ratio: 2935.63 (3.743 ppm)
Tue Jul 05 12:16:01.095 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:16:01.097 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:16:01.100 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.28 s.
Tue Jul 05 12:16:01.128 CEST 2022: Number of Multiplets: 182
Tue Jul 05 12:16:01.131 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Tue Jul 05 12:16:01.180 CEST 2022: Number of Peak Cluster: 23
Tue Jul 05 12:16:01.186 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Tue Jul 05 12:16:01.218 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Tue Jul 05 12:16:01.359 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Tue Jul 05 12:16:01.369 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:16:01.373 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:16:01.377 CEST 2022: Number of consistent PNS: 2
Tue Jul 05 12:16:01.380 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:16:01.383 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:16:01.675 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.29 s.
Tue Jul 05 12:16:01.794 CEST 2022: Elapsed time for evaluation (IN Suite): 0.12 s.
Tue Jul 05 12:16:01.909 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:16:01.913 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:16:02.299 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.50 s.
Tue Jul 05 12:16:02.302 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:16:02.304 CEST 2022: CMC-q finished in 2.04 s.
