Wed May 08 10:55:26.723 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:55:26.739 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_51\1\pdata\1
Wed May 08 10:55:26.755 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:55:26.770 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:55:26.786 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:55:26.833 CEST 2019: No HSQC data available
Wed May 08 10:55:26.880 CEST 2019: No C13 data available
Wed May 08 10:55:26.928 CEST 2019: No HMBC data available
Wed May 08 10:55:26.943 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:55:27.013 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 10:55:27.546 CEST 2019: Structure is used: true
Wed May 08 10:55:27.577 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_51/1/E03.mol
Wed May 08 10:55:27.577 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.56 s.
Wed May 08 10:55:27.624 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 10:55:27.640 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:55:27.640 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:55:27.655 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:55:27.671 CEST 2019: Spectrum is suppressed.
Wed May 08 10:55:27.671 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:55:27.687 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:55:27.687 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:55:27.702 CEST 2019: Expected impurity: TSP
Wed May 08 10:55:27.718 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:55:27.733 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 10:55:27.733 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 10:55:27.749 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:55:27.765 CEST 2019: RMSD noise: 628.498 (-0.812/-1.312)
Wed May 08 10:55:27.765 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:55:27.780 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:55:27.796 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:55:27.844 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:55:28.062 CEST 2019: Number of Peaks: (41, 19)
Wed May 08 10:55:28.078 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Wed May 08 10:55:28.078 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:55:28.094 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:55:28.110 CEST 2019: Signal-to-Noise ratio: 2108.36 (1.694 ppm)
Wed May 08 10:55:28.113 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:55:28.129 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:55:28.129 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Wed May 08 10:55:28.177 CEST 2019: Number of Multiplets: 84
Wed May 08 10:55:28.193 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 10:55:28.286 CEST 2019: Number of Peak Cluster: 17
Wed May 08 10:55:28.302 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 10:55:28.379 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Wed May 08 10:55:28.747 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Wed May 08 10:55:28.778 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 10:55:28.794 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:55:28.815 CEST 2019: Number of consistent PNS: 5
Wed May 08 10:55:28.830 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:55:28.830 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:55:28.910 CEST 2019: Number of ASL: 19
Wed May 08 10:55:28.925 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Wed May 08 10:55:29.441 CEST 2019: Elapsed time for evaluation (IN Suite): 0.51 s.
Wed May 08 10:55:29.480 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:55:29.495 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:55:30.299 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Wed May 08 10:55:30.330 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:55:30.330 CEST 2019: CMC-q finished in 3.61 s.
