Wed May 08 12:35:20.930 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:35:20.930 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_95\1\pdata\1
Wed May 08 12:35:20.962 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:35:20.962 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:35:20.977 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:35:21.009 CEST 2019: No HSQC data available
Wed May 08 12:35:21.040 CEST 2019: No C13 data available
Wed May 08 12:35:21.071 CEST 2019: No HMBC data available
Wed May 08 12:35:21.087 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:35:21.149 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 12:35:21.572 CEST 2019: Structure is used: true
Wed May 08 12:35:21.603 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_95/1/H11.mol
Wed May 08 12:35:21.619 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.47 s.
Wed May 08 12:35:21.656 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:35:21.672 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:35:21.672 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:35:21.688 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:35:21.688 CEST 2019: Spectrum is suppressed.
Wed May 08 12:35:21.703 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:35:21.719 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:35:21.719 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:35:21.735 CEST 2019: Expected impurity: TSP
Wed May 08 12:35:21.750 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:35:21.750 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 12:35:21.766 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 12:35:21.781 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:35:21.781 CEST 2019: RMSD noise: 695.139 (5.250/4.751)
Wed May 08 12:35:21.797 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:35:21.813 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:35:21.813 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:35:21.860 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:35:22.159 CEST 2019: Number of Peaks: (73, 14)
Wed May 08 12:35:22.190 CEST 2019: Elapsed time for evaluation (PP Suite): 0.31 s.
Wed May 08 12:35:22.190 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:35:22.205 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:35:22.221 CEST 2019: Signal-to-Noise ratio: 3357.84 (3.347 ppm)
Wed May 08 12:35:22.243 CEST 2019: Elapsed time for evaluation (SND Suite): 0.03 s.
Wed May 08 12:35:22.243 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:35:22.259 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.63 s.
Wed May 08 12:35:22.321 CEST 2019: Number of Multiplets: 117
Wed May 08 12:35:22.321 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 12:35:22.510 CEST 2019: Number of Peak Cluster: 36
Wed May 08 12:35:22.510 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.18 s.
Wed May 08 12:35:22.760 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.23 s.
Wed May 08 12:35:23.182 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Wed May 08 12:35:23.213 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 12:35:23.229 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 12:35:23.229 CEST 2019: Number of consistent PNS: 0
Wed May 08 12:35:23.244 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 12:35:23.260 CEST 2019: Number of consistent PNS: 20
Wed May 08 12:35:23.275 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:35:23.291 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 12:35:23.307 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:35:24.682 CEST 2019: Elapsed time for evaluation (BU Suite): 1.43 s.
Wed May 08 12:35:24.725 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 12:35:24.725 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 12:35:25.477 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Wed May 08 12:35:25.492 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:35:25.492 CEST 2019: CMC-q finished in 4.56 s.
