Mon May 06 23:04:53.836 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:04:53.852 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\85\pdata\1
Mon May 06 23:04:53.867 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:04:53.883 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:04:53.883 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:04:53.914 CEST 2019: No HSQC data available
Mon May 06 23:04:53.930 CEST 2019: No C13 data available
Mon May 06 23:04:53.945 CEST 2019: No HMBC data available
Mon May 06 23:04:53.961 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:04:54.014 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:04:54.406 CEST 2019: Structure is used: true
Mon May 06 23:04:54.406 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/85/H01.mol
Mon May 06 23:04:54.422 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.41 s.
Mon May 06 23:04:54.437 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:04:54.453 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:04:54.453 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:04:54.468 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:04:54.484 CEST 2019: Spectrum is suppressed.
Mon May 06 23:04:54.484 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:04:54.500 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:04:54.515 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:04:54.531 CEST 2019: Expected impurity: TSP
Mon May 06 23:04:54.531 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:04:54.547 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 23:04:54.562 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 23:04:54.562 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:04:54.578 CEST 2019: RMSD noise: 641.483 (10.704/10.204)
Mon May 06 23:04:54.578 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:04:54.593 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:04:54.609 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:04:54.656 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:04:54.843 CEST 2019: Number of Peaks: (39, 18)
Mon May 06 23:04:54.890 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon May 06 23:04:54.898 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:04:54.913 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:04:54.913 CEST 2019: Signal-to-Noise ratio: 195.47 (4.219 ppm)
Mon May 06 23:04:54.929 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:04:54.944 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:04:54.944 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Mon May 06 23:04:55.007 CEST 2019: Number of Multiplets: 121
Mon May 06 23:04:55.007 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 06 23:04:55.085 CEST 2019: Number of Peak Cluster: 13
Mon May 06 23:04:55.102 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 06 23:04:55.274 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 06 23:04:55.633 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon May 06 23:04:55.664 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 23:04:55.680 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:04:55.695 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:04:55.695 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:04:55.711 CEST 2019: Number of consistent PNS: 25
Mon May 06 23:04:55.727 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:04:55.758 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 06 23:04:55.774 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:04:56.386 CEST 2019: Elapsed time for evaluation (BU Suite): 0.67 s.
Mon May 06 23:04:56.401 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:04:56.417 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:04:57.198 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 06 23:04:57.229 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:04:57.245 CEST 2019: CMC-q finished in 3.41 s.
