Wed May 08 09:22:29.663 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:22:29.663 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_38\1\pdata\1
Wed May 08 09:22:29.695 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:22:29.695 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:22:29.710 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:22:29.726 CEST 2019: No HSQC data available
Wed May 08 09:22:29.742 CEST 2019: No C13 data available
Wed May 08 09:22:29.773 CEST 2019: No HMBC data available
Wed May 08 09:22:29.773 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:22:29.822 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:22:30.230 CEST 2019: Structure is used: true
Wed May 08 09:22:30.245 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_38/1/12.mol
Wed May 08 09:22:30.261 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.43 s.
Wed May 08 09:22:30.277 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:22:30.277 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:22:30.294 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:22:30.294 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:22:30.310 CEST 2019: Spectrum is suppressed.
Wed May 08 09:22:30.310 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:22:30.325 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:22:30.325 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:22:30.341 CEST 2019: Expected impurity: TSP
Wed May 08 09:22:30.341 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:22:30.356 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 09:22:30.356 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 09:22:30.372 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:22:30.372 CEST 2019: RMSD noise: 683.980 (-0.812/-1.312)
Wed May 08 09:22:30.388 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:22:30.403 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:22:30.403 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:22:30.450 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:22:30.606 CEST 2019: Number of Peaks: (43, 9)
Wed May 08 09:22:30.638 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 09:22:30.638 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:22:30.653 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:22:30.653 CEST 2019: Signal-to-Noise ratio: 3143.73 (3.107 ppm)
Wed May 08 09:22:30.670 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:22:30.670 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:22:30.686 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.42 s.
Wed May 08 09:22:30.717 CEST 2019: Number of Multiplets: 72
Wed May 08 09:22:30.717 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:22:30.780 CEST 2019: Number of Peak Cluster: 15
Wed May 08 09:22:30.795 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:22:30.826 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Wed May 08 09:22:31.139 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Wed May 08 09:22:31.170 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:22:31.186 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:22:31.186 CEST 2019: Number of consistent PNS: 1
Wed May 08 09:22:31.201 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:22:31.217 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:22:31.248 CEST 2019: Number of ASL: 18
Wed May 08 09:22:31.264 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Wed May 08 09:22:31.640 CEST 2019: Elapsed time for evaluation (IN Suite): 0.37 s.
Wed May 08 09:22:31.657 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:22:32.343 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.70 s.
Wed May 08 09:22:32.359 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:22:32.359 CEST 2019: CMC-q finished in 2.70 s.
