Mon May 06 22:52:25.545 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:52:25.545 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\45\pdata\1
Mon May 06 22:52:25.592 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:52:25.592 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:52:25.607 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:52:25.638 CEST 2019: No HSQC data available
Mon May 06 22:52:25.654 CEST 2019: No C13 data available
Mon May 06 22:52:25.670 CEST 2019: No HMBC data available
Mon May 06 22:52:25.685 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:52:25.732 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:52:26.155 CEST 2019: Structure is used: true
Mon May 06 22:52:26.186 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/45/D09.mol
Mon May 06 22:52:26.202 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Mon May 06 22:52:26.218 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:52:26.218 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:52:26.233 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:52:26.249 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:52:26.249 CEST 2019: Spectrum is suppressed.
Mon May 06 22:52:26.265 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:52:26.280 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:52:26.280 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:52:26.296 CEST 2019: Expected impurity: TSP
Mon May 06 22:52:26.312 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:52:26.327 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 22:52:26.327 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 22:52:26.343 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:52:26.358 CEST 2019: RMSD noise: 637.516 (-0.812/-1.312)
Mon May 06 22:52:26.370 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:52:26.370 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:52:26.385 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:52:26.432 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:52:26.620 CEST 2019: Number of Peaks: (47, 6)
Mon May 06 22:52:26.635 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 06 22:52:26.651 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:52:26.651 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:52:26.666 CEST 2019: Signal-to-Noise ratio: 254.40 (1.289 ppm)
Mon May 06 22:52:26.682 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:52:26.682 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:52:26.698 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.49 s.
Mon May 06 22:52:26.745 CEST 2019: Number of Multiplets: 96
Mon May 06 22:52:26.762 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 06 22:52:26.840 CEST 2019: Number of Peak Cluster: 11
Mon May 06 22:52:26.840 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 06 22:52:26.918 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 06 22:52:27.280 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon May 06 22:52:27.295 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 22:52:27.295 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:52:27.311 CEST 2019: Number of consistent PNS: 0
Mon May 06 22:52:27.327 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 22:52:27.342 CEST 2019: Number of consistent PNS: 15
Mon May 06 22:52:27.342 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 22:52:27.358 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 22:52:27.373 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:52:28.097 CEST 2019: Elapsed time for evaluation (BU Suite): 0.77 s.
Mon May 06 22:52:28.161 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:52:28.177 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 22:52:28.910 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 22:52:28.926 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:52:28.957 CEST 2019: CMC-q finished in 3.41 s.
