Wed May 08 16:12:56.614 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:12:56.614 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_D05\1\pdata\1
Wed May 08 16:12:56.646 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:12:56.661 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:12:56.661 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:12:56.724 CEST 2019: No HSQC data available
Wed May 08 16:12:56.771 CEST 2019: No C13 data available
Wed May 08 16:12:56.802 CEST 2019: No HMBC data available
Wed May 08 16:12:56.818 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:12:56.901 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 16:12:57.589 CEST 2019: Structure is used: true
Wed May 08 16:12:57.589 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_D05/1/D05.mol
Wed May 08 16:12:57.605 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.68 s.
Wed May 08 16:12:57.620 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:12:57.636 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:12:57.652 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:12:57.652 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:12:57.667 CEST 2019: Spectrum is suppressed.
Wed May 08 16:12:57.683 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:12:57.683 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:12:57.699 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:12:57.714 CEST 2019: Expected impurity: TSP
Wed May 08 16:12:57.730 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:12:57.730 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 16:12:57.745 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 16:12:57.745 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:12:57.761 CEST 2019: RMSD noise: 657.789 (10.704/10.204)
Wed May 08 16:12:57.777 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:12:57.777 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:12:57.808 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Wed May 08 16:12:57.855 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:12:58.059 CEST 2019: Number of Peaks: (47, 17)
Wed May 08 16:12:58.059 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 16:12:58.075 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:12:58.091 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:12:58.091 CEST 2019: Signal-to-Noise ratio: 11753.95 (0.992 ppm)
Wed May 08 16:12:58.106 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:12:58.122 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:12:58.122 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Wed May 08 16:12:58.184 CEST 2019: Number of Multiplets: 113
Wed May 08 16:12:58.184 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 16:12:58.278 CEST 2019: Number of Peak Cluster: 15
Wed May 08 16:12:58.294 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 16:12:58.341 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 16:12:58.748 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Wed May 08 16:12:58.779 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:12:58.795 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:12:58.811 CEST 2019: Number of consistent PNS: 1
Wed May 08 16:12:58.826 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:12:58.826 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:12:58.904 CEST 2019: Number of ASL: 12
Wed May 08 16:12:58.920 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Wed May 08 16:12:59.259 CEST 2019: Elapsed time for evaluation (IN Suite): 0.33 s.
Wed May 08 16:12:59.291 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:13:00.106 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Wed May 08 16:13:00.106 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:13:00.122 CEST 2019: CMC-q finished in 3.51 s.
