Wed May 08 09:16:47.139 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:16:47.155 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_19\1\pdata\1
Wed May 08 09:16:47.171 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:16:47.186 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:16:47.186 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:16:47.202 CEST 2019: No HSQC data available
Wed May 08 09:16:47.217 CEST 2019: No C13 data available
Wed May 08 09:16:47.249 CEST 2019: No HMBC data available
Wed May 08 09:16:47.249 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:16:47.296 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:16:47.638 CEST 2019: Structure is used: true
Wed May 08 09:16:47.669 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_19/1/50.mol
Wed May 08 09:16:47.669 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.37 s.
Wed May 08 09:16:47.685 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:16:47.700 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:16:47.700 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:16:47.716 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:16:47.716 CEST 2019: Spectrum is suppressed.
Wed May 08 09:16:47.732 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:16:47.732 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:16:47.747 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:16:47.747 CEST 2019: Expected impurity: TSP
Wed May 08 09:16:47.763 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:16:47.763 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 09:16:47.780 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 09:16:47.780 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:16:47.796 CEST 2019: RMSD noise: 640.198 (10.704/10.204)
Wed May 08 09:16:47.796 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:16:47.811 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:16:47.811 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:16:47.858 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:16:48.016 CEST 2019: Number of Peaks: (40, 14)
Wed May 08 09:16:48.031 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 09:16:48.031 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:16:48.047 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:16:48.047 CEST 2019: Signal-to-Noise ratio: 2928.25 (3.816 ppm)
Wed May 08 09:16:48.062 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:16:48.062 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:16:48.078 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Wed May 08 09:16:48.109 CEST 2019: Number of Multiplets: 68
Wed May 08 09:16:48.109 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:16:48.187 CEST 2019: Number of Peak Cluster: 20
Wed May 08 09:16:48.187 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 09:16:48.234 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 09:16:48.515 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Wed May 08 09:16:48.531 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:16:48.547 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:16:48.547 CEST 2019: Number of consistent PNS: 3
Wed May 08 09:16:48.562 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:16:48.562 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:16:48.625 CEST 2019: Number of ASL: 14
Wed May 08 09:16:48.640 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Wed May 08 09:16:48.672 CEST 2019: Elapsed time for evaluation (IN Suite): 0.03 s.
Wed May 08 09:16:48.694 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:16:49.275 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Wed May 08 09:16:49.291 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:16:49.291 CEST 2019: CMC-q finished in 2.15 s.
