Wed May 08 16:17:48.829 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:17:48.844 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_E06\1\pdata\1
Wed May 08 16:17:48.856 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:17:48.872 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:17:48.887 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:17:48.950 CEST 2019: No HSQC data available
Wed May 08 16:17:48.981 CEST 2019: No C13 data available
Wed May 08 16:17:49.028 CEST 2019: No HMBC data available
Wed May 08 16:17:49.028 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:17:49.095 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:17:50.148 CEST 2019: Structure is used: true
Wed May 08 16:17:50.164 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_E06/1/E06.mol
Wed May 08 16:17:50.180 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.07 s.
Wed May 08 16:17:50.195 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:17:50.211 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:17:50.226 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:17:50.226 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:17:50.242 CEST 2019: Spectrum is suppressed.
Wed May 08 16:17:50.242 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:17:50.258 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:17:50.258 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:17:50.273 CEST 2019: Expected impurity: TSP
Wed May 08 16:17:50.289 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:17:50.305 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 16:17:50.305 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 16:17:50.320 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:17:50.320 CEST 2019: RMSD noise: 626.032 (0.403/-0.097)
Wed May 08 16:17:50.336 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:17:50.351 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:17:50.367 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:17:50.414 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:17:50.648 CEST 2019: Number of Peaks: (57, 22)
Wed May 08 16:17:50.664 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Wed May 08 16:17:50.679 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:17:50.695 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:17:50.695 CEST 2019: Signal-to-Noise ratio: 1645.71 (6.769 ppm)
Wed May 08 16:17:50.711 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:17:50.726 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:17:50.726 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Wed May 08 16:17:50.789 CEST 2019: Number of Multiplets: 130
Wed May 08 16:17:50.804 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 16:17:50.898 CEST 2019: Number of Peak Cluster: 16
Wed May 08 16:17:50.914 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 16:17:51.023 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Wed May 08 16:17:51.698 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.66 s.
Wed May 08 16:17:51.713 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:17:51.729 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:17:51.744 CEST 2019: Number of consistent PNS: 4
Wed May 08 16:17:51.760 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:17:51.776 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:18:06.187 CEST 2019: Number of ASL: 312
Wed May 08 16:18:06.203 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 14.42 s.
Wed May 08 16:18:07.415 CEST 2019: Elapsed time for evaluation (IN Suite): 1.21 s.
Wed May 08 16:18:07.446 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:18:08.222 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Wed May 08 16:18:08.222 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:18:08.238 CEST 2019: CMC-q finished in 19.41 s.
