Wed May 08 11:55:46.805 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:55:46.805 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_30\1\pdata\1
Wed May 08 11:55:46.836 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:55:46.852 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:55:46.852 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:55:46.899 CEST 2019: No HSQC data available
Wed May 08 11:55:46.931 CEST 2019: No C13 data available
Wed May 08 11:55:46.962 CEST 2019: No HMBC data available
Wed May 08 11:55:46.979 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:55:47.057 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 11:55:47.637 CEST 2019: Structure is used: true
Wed May 08 11:55:47.684 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_30/1/C06.mol
Wed May 08 11:55:47.684 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.63 s.
Wed May 08 11:55:47.716 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:55:47.731 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:55:47.731 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:55:47.747 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:55:47.763 CEST 2019: Spectrum is suppressed.
Wed May 08 11:55:47.763 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:55:47.778 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:55:47.794 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:55:47.810 CEST 2019: Expected impurity: TSP
Wed May 08 11:55:47.810 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:55:47.826 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 11:55:47.826 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 11:55:47.842 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:55:47.858 CEST 2019: RMSD noise: 667.351 (10.704/10.204)
Wed May 08 11:55:47.858 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:55:47.880 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:55:47.896 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:55:47.927 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:55:48.194 CEST 2019: Number of Peaks: (62, 10)
Wed May 08 11:55:48.194 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Wed May 08 11:55:48.210 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:55:48.225 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:55:48.225 CEST 2019: Signal-to-Noise ratio: 1636.08 (3.793 ppm)
Wed May 08 11:55:48.241 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:55:48.261 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:55:48.263 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Wed May 08 11:55:48.325 CEST 2019: Number of Multiplets: 103
Wed May 08 11:55:48.341 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 11:55:48.482 CEST 2019: Number of Peak Cluster: 25
Wed May 08 11:55:48.482 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 11:55:48.717 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.21 s.
Wed May 08 11:55:49.233 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.52 s.
Wed May 08 11:55:49.296 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 11:55:49.311 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 11:55:49.327 CEST 2019: Number of consistent PNS: 3
Wed May 08 11:55:49.327 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:55:49.342 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:55:50.158 CEST 2019: Number of ASL: 241
Wed May 08 11:55:50.189 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.83 s.
Wed May 08 11:55:50.907 CEST 2019: Elapsed time for evaluation (IN Suite): 0.71 s.
Wed May 08 11:55:50.935 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:55:51.658 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Wed May 08 11:55:51.673 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:55:51.689 CEST 2019: CMC-q finished in 4.88 s.
