Mon May 06 23:09:23.953 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:09:23.953 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\4\pdata\1
Mon May 06 23:09:23.985 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:09:24.000 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:09:24.000 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:09:24.037 CEST 2019: No HSQC data available
Mon May 06 23:09:24.068 CEST 2019: No C13 data available
Mon May 06 23:09:24.084 CEST 2019: No HMBC data available
Mon May 06 23:09:24.099 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:09:24.162 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon May 06 23:09:24.913 CEST 2019: Structure is used: true
Mon May 06 23:09:24.944 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/4/A04.mol
Mon May 06 23:09:24.960 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.77 s.
Mon May 06 23:09:24.975 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:09:24.975 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:09:24.991 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:09:25.007 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:09:25.007 CEST 2019: Spectrum is suppressed.
Mon May 06 23:09:25.022 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:09:25.038 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:09:25.038 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:09:25.054 CEST 2019: Expected impurity: TSP
Mon May 06 23:09:25.069 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:09:25.085 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 06 23:09:25.085 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 06 23:09:25.100 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:09:25.116 CEST 2019: RMSD noise: 667.328 (9.492/8.992)
Mon May 06 23:09:25.116 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:09:25.132 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:09:25.147 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:09:25.194 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:09:25.413 CEST 2019: Number of Peaks: (55, 19)
Mon May 06 23:09:25.413 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 06 23:09:25.428 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:09:25.444 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:09:25.444 CEST 2019: Signal-to-Noise ratio: 490.10 (7.749 ppm)
Mon May 06 23:09:25.460 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:09:25.475 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:09:25.475 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 06 23:09:25.522 CEST 2019: Number of Multiplets: 118
Mon May 06 23:09:25.538 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 06 23:09:25.632 CEST 2019: Number of Peak Cluster: 18
Mon May 06 23:09:25.678 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 06 23:09:25.772 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 06 23:09:26.147 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Mon May 06 23:09:26.178 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:09:26.194 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:09:26.210 CEST 2019: Number of consistent PNS: 5
Mon May 06 23:09:26.225 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:09:26.225 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:09:37.852 CEST 2019: Number of ASL: 148
Mon May 06 23:09:37.883 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 11.64 s.
Mon May 06 23:09:38.290 CEST 2019: Elapsed time for evaluation (IN Suite): 0.40 s.
Mon May 06 23:09:38.306 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:09:39.082 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Mon May 06 23:09:39.098 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:09:39.098 CEST 2019: CMC-q finished in 15.14 s.
