Wed May 08 16:14:16.715 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:14:16.715 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_D10\1\pdata\1
Wed May 08 16:14:16.732 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:14:16.748 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:14:16.764 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:14:16.833 CEST 2019: No HSQC data available
Wed May 08 16:14:16.912 CEST 2019: No C13 data available
Wed May 08 16:14:16.959 CEST 2019: No HMBC data available
Wed May 08 16:14:16.975 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:14:17.044 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:14:18.170 CEST 2019: Structure is used: true
Wed May 08 16:14:18.201 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_D10/1/D10.mol
Wed May 08 16:14:18.201 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.15 s.
Wed May 08 16:14:18.232 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:14:18.232 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:14:18.248 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:14:18.248 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:14:18.264 CEST 2019: Spectrum is suppressed.
Wed May 08 16:14:18.279 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:14:18.279 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:14:18.295 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:14:18.311 CEST 2019: Expected impurity: TSP
Wed May 08 16:14:18.326 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:14:18.326 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 16:14:18.342 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 16:14:18.357 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 16:14:18.357 CEST 2019: RMSD noise: 656.561 (10.704/10.204)
Wed May 08 16:14:18.373 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:14:18.389 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:14:18.389 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:14:18.436 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:14:18.736 CEST 2019: Number of Peaks: (71, 16)
Wed May 08 16:14:18.736 CEST 2019: Elapsed time for evaluation (PP Suite): 0.29 s.
Wed May 08 16:14:18.752 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:14:18.783 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:14:18.783 CEST 2019: Signal-to-Noise ratio: 532.60 (0.900 ppm)
Wed May 08 16:14:18.806 CEST 2019: Elapsed time for evaluation (SND Suite): 0.02 s.
Wed May 08 16:14:18.821 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:14:18.821 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.61 s.
Wed May 08 16:14:18.915 CEST 2019: Number of Multiplets: 129
Wed May 08 16:14:18.915 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 16:14:19.041 CEST 2019: Number of Peak Cluster: 15
Wed May 08 16:14:19.073 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 16:14:19.245 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Wed May 08 16:14:19.871 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.63 s.
Wed May 08 16:14:19.918 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 16:14:19.933 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:14:19.949 CEST 2019: Number of consistent PNS: 10
Wed May 08 16:14:19.965 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 16:14:19.980 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:14:36.297 CEST 2019: Number of ASL: 106
Wed May 08 16:14:36.313 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 16.32 s.
Wed May 08 16:14:38.196 CEST 2019: Elapsed time for evaluation (IN Suite): 1.88 s.
Wed May 08 16:14:38.243 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:14:38.258 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:14:39.110 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.90 s.
Wed May 08 16:14:39.141 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:14:39.141 CEST 2019: CMC-q finished in 22.43 s.
