Mon May 13 13:45:30.381 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:45:30.391 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_G06\1\pdata\1
Mon May 13 13:45:30.411 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:45:30.421 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:45:30.431 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:45:30.451 CEST 2019: No HSQC data available
Mon May 13 13:45:30.474 CEST 2019: No C13 data available
Mon May 13 13:45:30.491 CEST 2019: No HMBC data available
Mon May 13 13:45:30.501 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:45:30.551 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:45:30.890 CEST 2019: Structure is used: true
Mon May 13 13:45:30.910 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_G06/1/0110705778.mol
Mon May 13 13:45:30.921 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.37 s.
Mon May 13 13:45:30.940 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:45:30.951 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:45:30.961 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:45:30.961 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:45:30.975 CEST 2019: Spectrum is suppressed.
Mon May 13 13:45:30.980 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:45:30.990 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:45:31.001 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:45:31.011 CEST 2019: Expected impurity: TSP
Mon May 13 13:45:31.020 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:45:31.020 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 13:45:31.031 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 13:45:31.040 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:45:31.051 CEST 2019: RMSD noise: 654.642 (1.009/0.509)
Mon May 13 13:45:31.060 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:45:31.070 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:45:31.081 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:45:31.116 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:45:31.246 CEST 2019: Number of Peaks: (32, 9)
Mon May 13 13:45:31.251 CEST 2019: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon May 13 13:45:31.260 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:45:31.271 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:45:31.281 CEST 2019: Signal-to-Noise ratio: 707.02 (7.414 ppm)
Mon May 13 13:45:31.291 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:45:31.291 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:45:31.301 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.37 s.
Mon May 13 13:45:31.341 CEST 2019: Number of Multiplets: 100
Mon May 13 13:45:31.350 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:45:31.410 CEST 2019: Number of Peak Cluster: 9
Mon May 13 13:45:31.421 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:45:31.575 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Mon May 13 13:45:31.860 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon May 13 13:45:31.880 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:45:31.895 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:45:31.900 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:45:31.911 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:45:31.921 CEST 2019: Number of consistent PNS: 15
Mon May 13 13:45:31.930 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:45:31.991 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 13 13:45:32.001 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:45:32.601 CEST 2019: Elapsed time for evaluation (BU Suite): 0.68 s.
Mon May 13 13:45:32.621 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:45:32.630 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:45:33.190 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.58 s.
Mon May 13 13:45:33.190 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:45:33.200 CEST 2019: CMC-q finished in 2.82 s.
