Mon May 06 23:16:48.784 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:16:48.799 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\29\pdata\1
Mon May 06 23:16:48.815 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:16:48.831 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:16:48.831 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:16:48.862 CEST 2019: No HSQC data available
Mon May 06 23:16:48.877 CEST 2019: No C13 data available
Mon May 06 23:16:48.893 CEST 2019: No HMBC data available
Mon May 06 23:16:48.909 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:16:48.967 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:16:49.565 CEST 2019: Structure is used: true
Mon May 06 23:16:49.596 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/29/C05.mol
Mon May 06 23:16:49.596 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.63 s.
Mon May 06 23:16:49.627 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:16:49.627 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:16:49.643 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:16:49.659 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:16:49.659 CEST 2019: Spectrum is suppressed.
Mon May 06 23:16:49.674 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:16:49.674 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:16:49.690 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:16:49.706 CEST 2019: Expected impurity: TSP
Mon May 06 23:16:49.721 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:16:49.721 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]
Mon May 06 23:16:49.737 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]
Mon May 06 23:16:49.737 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:16:49.752 CEST 2019: RMSD noise: 710.182 (8.886/8.386)
Mon May 06 23:16:49.768 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:16:49.768 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:16:49.784 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:16:49.830 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:16:50.034 CEST 2019: Number of Peaks: (38, 14)
Mon May 06 23:16:50.065 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon May 06 23:16:50.065 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:16:50.080 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:16:50.096 CEST 2019: Signal-to-Noise ratio: 945.61 (2.846 ppm)
Mon May 06 23:16:50.096 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:16:50.112 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:16:50.127 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 06 23:16:50.159 CEST 2019: Number of Multiplets: 100
Mon May 06 23:16:50.174 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:16:50.424 CEST 2019: Number of Peak Cluster: 11
Mon May 06 23:16:50.424 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.24 s.
Mon May 06 23:16:50.533 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 06 23:16:50.925 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 06 23:16:50.958 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:16:50.973 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:16:50.989 CEST 2019: Number of consistent PNS: 5
Mon May 06 23:16:50.989 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:16:51.005 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:16:51.145 CEST 2019: Number of ASL: 4
Mon May 06 23:16:51.161 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.14 s.
Mon May 06 23:16:51.583 CEST 2019: Elapsed time for evaluation (IN Suite): 0.41 s.
Mon May 06 23:16:51.629 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:16:52.335 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.72 s.
Mon May 06 23:16:52.335 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:16:52.351 CEST 2019: CMC-q finished in 3.57 s.
