Wed May 08 09:35:40.519 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:35:40.535 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_89\1\pdata\1
Wed May 08 09:35:40.550 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:35:40.566 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:35:40.566 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:35:40.581 CEST 2019: No HSQC data available
Wed May 08 09:35:40.613 CEST 2019: No C13 data available
Wed May 08 09:35:40.628 CEST 2019: No HMBC data available
Wed May 08 09:35:40.628 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:35:40.675 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:35:41.056 CEST 2019: Structure is used: true
Wed May 08 09:35:41.087 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_89/1/40.mol
Wed May 08 09:35:41.087 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.40 s.
Wed May 08 09:35:41.103 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:35:41.118 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:35:41.118 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:35:41.134 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:35:41.134 CEST 2019: Spectrum is suppressed.
Wed May 08 09:35:41.149 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:35:41.149 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:35:41.165 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:35:41.181 CEST 2019: Expected impurity: TSP
Wed May 08 09:35:41.181 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:35:41.196 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 09:35:41.196 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 09:35:41.212 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:35:41.212 CEST 2019: RMSD noise: 690.313 (8.886/8.386)
Wed May 08 09:35:41.228 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:35:41.228 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:35:41.243 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:35:41.274 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:35:41.431 CEST 2019: Number of Peaks: (35, 17)
Wed May 08 09:35:41.462 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 09:35:41.462 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:35:41.478 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:35:41.478 CEST 2019: Signal-to-Noise ratio: 490.98 (3.828 ppm)
Wed May 08 09:35:41.493 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:35:41.493 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:35:41.509 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.41 s.
Wed May 08 09:35:41.540 CEST 2019: Number of Multiplets: 69
Wed May 08 09:35:41.540 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:35:41.603 CEST 2019: Number of Peak Cluster: 13
Wed May 08 09:35:41.618 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:35:41.649 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Wed May 08 09:35:41.963 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Wed May 08 09:35:41.979 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:35:41.994 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:35:42.010 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:35:42.010 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:35:42.026 CEST 2019: Number of consistent PNS: 30
Wed May 08 09:35:42.041 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:35:42.041 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:35:42.058 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:35:42.806 CEST 2019: Elapsed time for evaluation (BU Suite): 0.78 s.
Wed May 08 09:35:42.821 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:35:42.821 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:35:43.416 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Wed May 08 09:35:43.416 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:35:43.432 CEST 2019: CMC-q finished in 2.91 s.
