Wed May 08 09:22:15.795 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:22:15.810 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_37\1\pdata\1
Wed May 08 09:22:15.826 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:22:15.841 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:22:15.857 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:22:15.873 CEST 2019: No HSQC data available
Wed May 08 09:22:15.904 CEST 2019: No C13 data available
Wed May 08 09:22:15.920 CEST 2019: No HMBC data available
Wed May 08 09:22:15.935 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:22:15.982 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 09:22:17.029 CEST 2019: Structure is used: true
Wed May 08 09:22:17.060 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_37/1/4.mol
Wed May 08 09:22:17.060 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.07 s.
Wed May 08 09:22:17.091 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:22:17.107 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:22:17.107 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:22:17.122 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:22:17.138 CEST 2019: Spectrum is suppressed.
Wed May 08 09:22:17.154 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 09:22:17.154 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:22:17.169 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:22:17.185 CEST 2019: Expected impurity: TSP
Wed May 08 09:22:17.185 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:22:17.201 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 09:22:17.216 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 09:22:17.232 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 09:22:17.247 CEST 2019: RMSD noise: 641.888 (-0.203/-0.703)
Wed May 08 09:22:17.247 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:22:17.263 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:22:17.279 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:22:17.357 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.06 s.
Wed May 08 09:22:17.575 CEST 2019: Number of Peaks: (33, 10)
Wed May 08 09:22:17.575 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Wed May 08 09:22:17.591 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:22:17.591 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:22:17.607 CEST 2019: Signal-to-Noise ratio: 165.49 (3.269 ppm)
Wed May 08 09:22:17.622 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:22:17.622 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:22:17.638 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Wed May 08 09:22:17.685 CEST 2019: Number of Multiplets: 68
Wed May 08 09:22:17.685 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:22:17.763 CEST 2019: Number of Peak Cluster: 14
Wed May 08 09:22:17.763 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:22:17.872 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Wed May 08 09:22:18.372 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.50 s.
Wed May 08 09:22:18.403 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:22:18.419 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:22:18.435 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:22:18.450 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:22:18.481 CEST 2019: Number of consistent PNS: 45
Wed May 08 09:22:18.481 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 09:22:18.513 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:22:18.513 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:22:19.278 CEST 2019: Elapsed time for evaluation (BU Suite): 0.82 s.
Wed May 08 09:22:19.309 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:22:19.325 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:22:20.231 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.95 s.
Wed May 08 09:22:20.247 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:22:20.247 CEST 2019: CMC-q finished in 4.45 s.
