Mon May 06 23:05:23.441 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:05:23.457 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\87\pdata\1
Mon May 06 23:05:23.472 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:05:23.488 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:05:23.504 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:05:23.519 CEST 2019: No HSQC data available
Mon May 06 23:05:23.535 CEST 2019: No C13 data available
Mon May 06 23:05:23.566 CEST 2019: No HMBC data available
Mon May 06 23:05:23.566 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:05:23.624 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:05:24.204 CEST 2019: Structure is used: true
Mon May 06 23:05:24.219 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/87/H03.mol
Mon May 06 23:05:24.235 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.60 s.
Mon May 06 23:05:24.251 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:05:24.266 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:05:24.266 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:05:24.282 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:05:24.282 CEST 2019: Spectrum is suppressed.
Mon May 06 23:05:24.297 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:05:24.313 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:05:24.313 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:05:24.329 CEST 2019: Expected impurity: TSP
Mon May 06 23:05:24.344 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:05:24.360 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 23:05:24.360 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 23:05:24.376 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:05:24.391 CEST 2019: RMSD noise: 616.693 (9.492/8.992)
Mon May 06 23:05:24.391 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:05:24.422 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.01 s.
Mon May 06 23:05:24.454 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:05:24.501 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:05:24.969 CEST 2019: Number of Peaks: (143, 20)
Mon May 06 23:05:24.985 CEST 2019: Elapsed time for evaluation (PP Suite): 0.47 s.
Mon May 06 23:05:24.985 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:05:25.000 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:05:25.016 CEST 2019: Signal-to-Noise ratio: 263.93 (3.750 ppm)
Mon May 06 23:05:25.016 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:05:25.032 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:05:25.047 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.80 s.
Mon May 06 23:05:25.266 CEST 2019: Number of Multiplets: 254
Mon May 06 23:05:25.266 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.22 s.
Mon May 06 23:05:25.485 CEST 2019: Number of Peak Cluster: 25
Mon May 06 23:05:25.500 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.22 s.
Mon May 06 23:05:25.531 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 06 23:05:26.409 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.86 s.
Mon May 06 23:05:26.487 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.06 s.
Mon May 06 23:05:26.503 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 23:05:26.565 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:05:26.581 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.07 s.
Mon May 06 23:05:26.612 CEST 2019: Number of consistent PNS: 40
Mon May 06 23:05:26.628 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 06 23:05:26.706 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.08 s.
Mon May 06 23:05:26.722 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:05:29.989 CEST 2019: Elapsed time for evaluation (BU Suite): 3.39 s.
Mon May 06 23:05:30.005 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:05:30.021 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:05:30.757 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 23:05:30.757 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:05:30.773 CEST 2019: CMC-q finished in 7.33 s.
