Mon May 06 22:51:26.065 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:51:26.065 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\42\pdata\1
Mon May 06 22:51:26.097 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:51:26.112 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:51:26.112 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:51:26.143 CEST 2019: No HSQC data available
Mon May 06 22:51:26.159 CEST 2019: No C13 data available
Mon May 06 22:51:26.190 CEST 2019: No HMBC data available
Mon May 06 22:51:26.206 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:51:26.260 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:51:26.951 CEST 2019: Structure is used: true
Mon May 06 22:51:26.982 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/42/D06.mol
Mon May 06 22:51:26.982 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.72 s.
Mon May 06 22:51:27.014 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:51:27.014 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:51:27.029 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:51:27.045 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:51:27.045 CEST 2019: Spectrum is suppressed.
Mon May 06 22:51:27.060 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:51:27.076 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:51:27.076 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:51:27.092 CEST 2019: Expected impurity: TSP
Mon May 06 22:51:27.107 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:51:27.123 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 22:51:27.123 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 22:51:27.139 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:51:27.154 CEST 2019: RMSD noise: 655.845 (10.704/10.204)
Mon May 06 22:51:27.154 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:51:27.170 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:51:27.185 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:51:27.248 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Mon May 06 22:51:27.623 CEST 2019: Number of Peaks: (98, 20)
Mon May 06 22:51:27.654 CEST 2019: Elapsed time for evaluation (PP Suite): 0.40 s.
Mon May 06 22:51:27.654 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:51:27.670 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:51:27.685 CEST 2019: Signal-to-Noise ratio: 2932.64 (1.025 ppm)
Mon May 06 22:51:27.685 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:51:27.701 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:51:27.717 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.71 s.
Mon May 06 22:51:27.888 CEST 2019: Number of Multiplets: 254
Mon May 06 22:51:27.904 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.18 s.
Mon May 06 22:51:28.109 CEST 2019: Number of Peak Cluster: 25
Mon May 06 22:51:28.124 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.21 s.
Mon May 06 22:51:28.344 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.21 s.
Mon May 06 22:51:28.953 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.61 s.
Mon May 06 22:51:29.032 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.06 s.
Mon May 06 22:51:29.063 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 22:51:29.078 CEST 2019: Number of consistent PNS: 0
Mon May 06 22:51:29.094 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:51:29.125 CEST 2019: Number of consistent PNS: 40
Mon May 06 22:51:29.125 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 06 22:51:29.188 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.04 s.
Mon May 06 22:51:29.188 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:51:31.299 CEST 2019: Elapsed time for evaluation (BU Suite): 2.19 s.
Mon May 06 22:51:31.315 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:51:31.331 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 22:51:32.127 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Mon May 06 22:51:32.127 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:51:32.143 CEST 2019: CMC-q finished in 6.08 s.
