Wed May 08 09:34:18.200 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:34:18.220 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_85\1\pdata\1
Wed May 08 09:34:18.223 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:34:18.238 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:34:18.254 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:34:18.270 CEST 2019: No HSQC data available
Wed May 08 09:34:18.285 CEST 2019: No C13 data available
Wed May 08 09:34:18.301 CEST 2019: No HMBC data available
Wed May 08 09:34:18.317 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:34:18.348 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:34:18.708 CEST 2019: Structure is used: true
Wed May 08 09:34:18.740 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_85/1/8.mol
Wed May 08 09:34:18.740 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.38 s.
Wed May 08 09:34:18.755 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:34:18.771 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:34:18.771 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:34:18.786 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:34:18.786 CEST 2019: Spectrum is suppressed.
Wed May 08 09:34:18.797 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:34:18.797 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:34:18.812 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:34:18.828 CEST 2019: Expected impurity: TSP
Wed May 08 09:34:18.828 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:34:18.844 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 09:34:18.844 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 09:34:18.859 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:34:18.859 CEST 2019: RMSD noise: 624.539 (10.704/10.204)
Wed May 08 09:34:18.875 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:34:18.875 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:34:18.891 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:34:18.922 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:34:19.095 CEST 2019: Number of Peaks: (52, 13)
Wed May 08 09:34:19.111 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 09:34:19.111 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:34:19.126 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:34:19.126 CEST 2019: Signal-to-Noise ratio: 3451.25 (2.187 ppm)
Wed May 08 09:34:19.142 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:34:19.157 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:34:19.157 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.41 s.
Wed May 08 09:34:19.189 CEST 2019: Number of Multiplets: 102
Wed May 08 09:34:19.204 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:34:19.282 CEST 2019: Number of Peak Cluster: 20
Wed May 08 09:34:19.298 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 09:34:19.439 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 09:34:19.732 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Wed May 08 09:34:19.732 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:34:19.748 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:34:19.779 CEST 2019: Number of consistent PNS: 3
Wed May 08 09:34:19.779 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:34:19.794 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:34:20.122 CEST 2019: Number of ASL: 186
Wed May 08 09:34:20.138 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.32 s.
Wed May 08 09:34:20.569 CEST 2019: Elapsed time for evaluation (IN Suite): 0.42 s.
Wed May 08 09:34:20.594 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:34:20.610 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:34:21.195 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Wed May 08 09:34:21.210 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:34:21.210 CEST 2019: CMC-q finished in 3.01 s.
