Mon May 13 14:21:57.111 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:21:57.121 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_H09\1\pdata\1
Mon May 13 14:21:57.138 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:21:57.156 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:21:57.166 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:21:57.186 CEST 2019: No HSQC data available
Mon May 13 14:21:57.206 CEST 2019: No C13 data available
Mon May 13 14:21:57.236 CEST 2019: No HMBC data available
Mon May 13 14:21:57.246 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:21:57.296 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:21:57.756 CEST 2019: Structure is used: true
Mon May 13 14:21:57.801 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_H09/1/0110705217.mol
Mon May 13 14:21:57.806 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.50 s.
Mon May 13 14:21:57.826 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:21:57.839 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:21:57.846 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:21:57.857 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:21:57.866 CEST 2019: Spectrum is suppressed.
Mon May 13 14:21:57.876 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:21:57.886 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:21:57.896 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:21:57.916 CEST 2019: Expected impurity: TSP
Mon May 13 14:21:57.926 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:21:57.936 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon May 13 14:21:57.946 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon May 13 14:21:57.956 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:21:57.966 CEST 2019: RMSD noise: 686.978 (9.492/8.992)
Mon May 13 14:21:57.976 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:21:57.986 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:21:58.001 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:21:58.046 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:21:58.380 CEST 2019: Number of Peaks: (67, 22)
Mon May 13 14:21:58.390 CEST 2019: Elapsed time for evaluation (PP Suite): 0.33 s.
Mon May 13 14:21:58.400 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:21:58.410 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:21:58.416 CEST 2019: Signal-to-Noise ratio: 3200.48 (1.865 ppm)
Mon May 13 14:21:58.431 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:21:58.441 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:21:58.451 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.63 s.
Mon May 13 14:21:58.586 CEST 2019: Number of Multiplets: 165
Mon May 13 14:21:58.596 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.14 s.
Mon May 13 14:21:58.739 CEST 2019: Number of Peak Cluster: 16
Mon May 13 14:21:58.749 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Mon May 13 14:21:58.986 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.22 s.
Mon May 13 14:21:59.599 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.61 s.
Mon May 13 14:21:59.636 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:21:59.646 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:21:59.666 CEST 2019: Number of consistent PNS: 3
Mon May 13 14:21:59.676 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:21:59.696 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:22:06.556 CEST 2019: Number of ASL: 16
Mon May 13 14:22:06.576 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 6.87 s.
Mon May 13 14:22:08.796 CEST 2019: Elapsed time for evaluation (IN Suite): 2.21 s.
Mon May 13 14:22:09.189 CEST 2019: Elapsed time for evaluation (BU Suite): 0.39 s.
Mon May 13 14:22:09.218 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:22:09.228 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 13 14:22:10.066 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Mon May 13 14:22:10.076 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:22:10.086 CEST 2019: CMC-q finished in 12.97 s.
