Wed May 08 16:26:25.938 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:26:25.954 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_G09\1\pdata\1
Wed May 08 16:26:25.969 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:26:25.969 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:26:25.985 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:26:26.032 CEST 2019: No HSQC data available
Wed May 08 16:26:26.063 CEST 2019: No C13 data available
Wed May 08 16:26:26.094 CEST 2019: No HMBC data available
Wed May 08 16:26:26.094 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:26:26.156 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:26:26.564 CEST 2019: Structure is used: true
Wed May 08 16:26:26.579 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_G09/1/G09.mol
Wed May 08 16:26:26.595 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.43 s.
Wed May 08 16:26:26.610 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:26:26.610 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:26:26.626 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:26:26.626 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:26:26.642 CEST 2019: Spectrum is suppressed.
Wed May 08 16:26:26.642 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 16:26:26.657 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:26:26.657 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:26:26.673 CEST 2019: Expected impurity: TSP
Wed May 08 16:26:26.673 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:26:26.688 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 16:26:26.688 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 16:26:26.704 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 16:26:26.704 CEST 2019: RMSD noise: 650.142 (-0.812/-1.312)
Wed May 08 16:26:26.720 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:26:26.720 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:26:26.735 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:26:26.768 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:26:26.924 CEST 2019: Number of Peaks: (33, 12)
Wed May 08 16:26:26.924 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 16:26:26.940 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:26:26.940 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:26:26.957 CEST 2019: Signal-to-Noise ratio: 3221.26 (2.361 ppm)
Wed May 08 16:26:26.957 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:26:26.972 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:26:26.972 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Wed May 08 16:26:27.003 CEST 2019: Number of Multiplets: 73
Wed May 08 16:26:27.019 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 16:26:27.082 CEST 2019: Number of Peak Cluster: 13
Wed May 08 16:26:27.097 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 16:26:27.238 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 16:26:27.535 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Wed May 08 16:26:27.550 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:26:27.550 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:26:27.566 CEST 2019: Number of consistent PNS: 4
Wed May 08 16:26:27.581 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:26:27.581 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:26:27.863 CEST 2019: Number of ASL: 28
Wed May 08 16:26:27.863 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.27 s.
Wed May 08 16:26:28.347 CEST 2019: Elapsed time for evaluation (IN Suite): 0.47 s.
Wed May 08 16:26:28.378 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:26:28.394 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:26:28.956 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Wed May 08 16:26:28.972 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:26:28.972 CEST 2019: CMC-q finished in 3.03 s.
