Wed May 08 11:31:26.644 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:31:26.660 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_81\1\pdata\1
Wed May 08 11:31:26.676 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:31:26.691 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:31:26.707 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:31:26.754 CEST 2019: No HSQC data available
Wed May 08 11:31:26.785 CEST 2019: No C13 data available
Wed May 08 11:31:26.816 CEST 2019: No HMBC data available
Wed May 08 11:31:26.832 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:31:26.894 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:31:27.333 CEST 2019: Structure is used: true
Wed May 08 11:31:27.364 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_81/1/G09.mol
Wed May 08 11:31:27.380 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.47 s.
Wed May 08 11:31:27.414 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:31:27.429 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:31:27.429 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:31:27.445 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:31:27.460 CEST 2019: Spectrum is suppressed.
Wed May 08 11:31:27.460 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:31:27.476 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:31:27.492 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:31:27.507 CEST 2019: Expected impurity: TSP
Wed May 08 11:31:27.507 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:31:27.524 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 11:31:27.540 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 11:31:27.555 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:31:27.555 CEST 2019: RMSD noise: 657.848 (-0.812/-1.312)
Wed May 08 11:31:27.571 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:31:27.587 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:31:27.602 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:31:27.649 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:31:27.837 CEST 2019: Number of Peaks: (24, 10)
Wed May 08 11:31:27.868 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Wed May 08 11:31:27.883 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:31:27.883 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:31:27.899 CEST 2019: Signal-to-Noise ratio: 4256.28 (2.114 ppm)
Wed May 08 11:31:27.915 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:31:27.930 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:31:27.954 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.57 s.
Wed May 08 11:31:27.985 CEST 2019: Number of Multiplets: 38
Wed May 08 11:31:27.985 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 11:31:28.065 CEST 2019: Number of Peak Cluster: 12
Wed May 08 11:31:28.065 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 11:31:28.143 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 11:31:28.503 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Wed May 08 11:31:28.519 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:31:28.534 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:31:28.550 CEST 2019: Number of consistent PNS: 3
Wed May 08 11:31:28.566 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:31:28.581 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:31:28.612 CEST 2019: Number of ASL: 12
Wed May 08 11:31:28.628 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Wed May 08 11:31:28.909 CEST 2019: Elapsed time for evaluation (IN Suite): 0.27 s.
Wed May 08 11:31:28.940 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:31:28.940 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:31:29.782 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 11:31:29.814 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:31:29.814 CEST 2019: CMC-q finished in 3.17 s.
