Mon May 13 13:32:56.772 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:32:56.782 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_C10\1\pdata\1
Mon May 13 13:32:56.792 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:32:56.802 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:32:56.812 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:32:56.832 CEST 2019: No HSQC data available
Mon May 13 13:32:56.852 CEST 2019: No C13 data available
Mon May 13 13:32:56.862 CEST 2019: No HMBC data available
Mon May 13 13:32:56.872 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:32:56.912 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:32:57.247 CEST 2019: Structure is used: true
Mon May 13 13:32:57.272 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_C10/1/0110705822.mol
Mon May 13 13:32:57.282 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.36 s.
Mon May 13 13:32:57.302 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:32:57.302 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:32:57.312 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:32:57.322 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:32:57.332 CEST 2019: Spectrum is suppressed.
Mon May 13 13:32:57.332 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:32:57.342 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:32:57.352 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:32:57.362 CEST 2019: Expected impurity: TSP
Mon May 13 13:32:57.372 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:32:57.382 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 13 13:32:57.382 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 13 13:32:57.392 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Mon May 13 13:32:57.402 CEST 2019: RMSD noise: 731.237 (7.068/6.569)
Mon May 13 13:32:57.412 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:32:57.422 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:32:57.432 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:32:57.462 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:32:57.652 CEST 2019: Number of Peaks: (44, 8)
Mon May 13 13:32:57.662 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:32:57.672 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:32:57.682 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:32:57.692 CEST 2019: Signal-to-Noise ratio: 3797.07 (2.070 ppm)
Mon May 13 13:32:57.692 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:32:57.702 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:32:57.712 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.42 s.
Mon May 13 13:32:57.745 CEST 2019: Number of Multiplets: 69
Mon May 13 13:32:57.752 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:32:57.842 CEST 2019: Number of Peak Cluster: 18
Mon May 13 13:32:57.862 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 13 13:32:57.932 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 13 13:32:58.302 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Mon May 13 13:32:58.312 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:32:58.322 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:32:58.332 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:32:58.343 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:32:58.352 CEST 2019: Number of consistent PNS: 15
Mon May 13 13:32:58.362 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:32:58.372 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:32:58.382 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:32:59.142 CEST 2019: Elapsed time for evaluation (BU Suite): 0.79 s.
Mon May 13 13:32:59.162 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:32:59.172 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:32:59.737 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Mon May 13 13:32:59.742 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:32:59.752 CEST 2019: CMC-q finished in 2.98 s.
