Wed May 08 09:36:11.643 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:36:11.658 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_91\1\pdata\1
Wed May 08 09:36:11.674 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:36:11.689 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:36:11.689 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:36:11.721 CEST 2019: No HSQC data available
Wed May 08 09:36:11.736 CEST 2019: No C13 data available
Wed May 08 09:36:11.752 CEST 2019: No HMBC data available
Wed May 08 09:36:11.768 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:36:11.799 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:36:12.371 CEST 2019: Structure is used: true
Wed May 08 09:36:12.403 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_91/1/56.mol
Wed May 08 09:36:12.403 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.60 s.
Wed May 08 09:36:12.418 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:36:12.434 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:36:12.434 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:36:12.449 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:36:12.449 CEST 2019: Spectrum is suppressed.
Wed May 08 09:36:12.465 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:36:12.465 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:36:12.481 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:36:12.481 CEST 2019: Expected impurity: TSP
Wed May 08 09:36:12.496 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:36:12.496 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 09:36:12.512 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 09:36:12.512 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:36:12.528 CEST 2019: RMSD noise: 664.282 (10.704/10.204)
Wed May 08 09:36:12.528 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:36:12.543 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:36:12.559 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:36:12.590 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:36:12.746 CEST 2019: Number of Peaks: (38, 10)
Wed May 08 09:36:12.762 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 09:36:12.778 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:36:12.778 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:36:12.793 CEST 2019: Signal-to-Noise ratio: 1937.74 (2.829 ppm)
Wed May 08 09:36:12.793 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:36:12.809 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:36:12.809 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Wed May 08 09:36:12.840 CEST 2019: Number of Multiplets: 79
Wed May 08 09:36:12.856 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:36:12.918 CEST 2019: Number of Peak Cluster: 11
Wed May 08 09:36:12.918 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:36:12.981 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Wed May 08 09:36:13.297 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Wed May 08 09:36:13.297 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:36:13.312 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:36:13.312 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:36:13.328 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:36:13.344 CEST 2019: Number of consistent PNS: 20
Wed May 08 09:36:13.344 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:36:13.359 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:36:13.375 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:36:14.062 CEST 2019: Elapsed time for evaluation (BU Suite): 0.73 s.
Wed May 08 09:36:14.093 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:36:14.109 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:36:14.671 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Wed May 08 09:36:14.683 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:36:14.684 CEST 2019: CMC-q finished in 3.04 s.
