Wed May 08 11:34:29.554 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:34:29.554 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_87\1\pdata\1
Wed May 08 11:34:29.585 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:34:29.601 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:34:29.601 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:34:29.664 CEST 2019: No HSQC data available
Wed May 08 11:34:29.695 CEST 2019: No C13 data available
Wed May 08 11:34:29.726 CEST 2019: No HMBC data available
Wed May 08 11:34:29.742 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:34:29.804 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:34:30.214 CEST 2019: Structure is used: true
Wed May 08 11:34:30.261 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_87/1/H03.mol
Wed May 08 11:34:30.261 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Wed May 08 11:34:30.291 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:34:30.306 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:34:30.306 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:34:30.322 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:34:30.322 CEST 2019: Spectrum is suppressed.
Wed May 08 11:34:30.337 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:34:30.353 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:34:30.353 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:34:30.369 CEST 2019: Expected impurity: TSP
Wed May 08 11:34:30.384 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:34:30.400 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 11:34:30.400 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 11:34:30.416 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:34:30.416 CEST 2019: RMSD noise: 677.231 (10.704/10.204)
Wed May 08 11:34:30.431 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:34:30.447 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:34:30.462 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:34:30.494 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:34:30.729 CEST 2019: Number of Peaks: (61, 15)
Wed May 08 11:34:30.745 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Wed May 08 11:34:30.761 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:34:30.776 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:34:30.776 CEST 2019: Signal-to-Noise ratio: 2369.78 (1.274 ppm)
Wed May 08 11:34:30.792 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:34:30.807 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:34:30.807 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Wed May 08 11:34:30.901 CEST 2019: Number of Multiplets: 171
Wed May 08 11:34:30.901 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Wed May 08 11:34:31.017 CEST 2019: Number of Peak Cluster: 14
Wed May 08 11:34:31.033 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 11:34:31.222 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.18 s.
Wed May 08 11:34:31.628 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Wed May 08 11:34:31.659 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 11:34:31.675 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:34:31.691 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:34:31.691 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:34:31.706 CEST 2019: Number of consistent PNS: 20
Wed May 08 11:34:31.722 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:34:31.800 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.07 s.
Wed May 08 11:34:31.816 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:34:32.990 CEST 2019: Elapsed time for evaluation (BU Suite): 1.29 s.
Wed May 08 11:34:33.027 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:34:33.027 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:34:33.781 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Wed May 08 11:34:33.781 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:34:33.797 CEST 2019: CMC-q finished in 4.24 s.
