Wed May 08 09:23:44.788 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:23:44.788 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_44\1\pdata\1
Wed May 08 09:23:44.819 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:23:44.819 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:23:44.835 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:23:44.851 CEST 2019: No HSQC data available
Wed May 08 09:23:44.866 CEST 2019: No C13 data available
Wed May 08 09:23:44.882 CEST 2019: No HMBC data available
Wed May 08 09:23:44.898 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:23:44.929 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:23:45.382 CEST 2019: Structure is used: true
Wed May 08 09:23:45.413 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_44/1/60.mol
Wed May 08 09:23:45.413 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.47 s.
Wed May 08 09:23:45.428 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:23:45.444 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:23:45.444 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:23:45.444 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:23:45.460 CEST 2019: Spectrum is suppressed.
Wed May 08 09:23:45.460 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:23:45.475 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:23:45.475 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:23:45.491 CEST 2019: Expected impurity: TSP
Wed May 08 09:23:45.507 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:23:45.507 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]
Wed May 08 09:23:45.507 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]
Wed May 08 09:23:45.523 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:23:45.523 CEST 2019: RMSD noise: 634.872 (10.704/10.204)
Wed May 08 09:23:45.539 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:23:45.539 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:23:45.555 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:23:45.586 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:23:45.814 CEST 2019: Number of Peaks: (48, 16)
Wed May 08 09:23:45.830 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Wed May 08 09:23:45.845 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:23:45.845 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:23:45.861 CEST 2019: Signal-to-Noise ratio: 2076.29 (7.040 ppm)
Wed May 08 09:23:45.861 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:23:45.877 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:23:45.877 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Wed May 08 09:23:45.924 CEST 2019: Number of Multiplets: 107
Wed May 08 09:23:45.939 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 09:23:46.017 CEST 2019: Number of Peak Cluster: 15
Wed May 08 09:23:46.017 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:23:46.189 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Wed May 08 09:23:46.580 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Wed May 08 09:23:46.626 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:23:46.626 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:23:46.642 CEST 2019: Number of consistent PNS: 3
Wed May 08 09:23:46.658 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:23:46.673 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:23:46.767 CEST 2019: Number of ASL: 72
Wed May 08 09:23:46.783 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.11 s.
Wed May 08 09:23:47.564 CEST 2019: Elapsed time for evaluation (IN Suite): 0.77 s.
Wed May 08 09:23:47.579 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:23:47.595 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:23:48.204 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.64 s.
Wed May 08 09:23:48.220 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:23:48.220 CEST 2019: CMC-q finished in 3.43 s.
