Mon May 13 14:20:41.056 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:20:41.066 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_H05\1\pdata\1
Mon May 13 14:20:41.086 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:20:41.106 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:20:41.116 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:20:41.136 CEST 2019: No HSQC data available
Mon May 13 14:20:41.156 CEST 2019: No C13 data available
Mon May 13 14:20:41.186 CEST 2019: No HMBC data available
Mon May 13 14:20:41.196 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:20:41.246 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:20:42.096 CEST 2019: Structure is used: true
Mon May 13 14:20:42.146 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_H05/1/0110705956.mol
Mon May 13 14:20:42.156 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.90 s.
Mon May 13 14:20:42.175 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:20:42.186 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:20:42.191 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:20:42.196 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:20:42.206 CEST 2019: Spectrum is suppressed.
Mon May 13 14:20:42.226 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:20:42.236 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:20:42.236 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:20:42.256 CEST 2019: Expected impurity: TSP
Mon May 13 14:20:42.266 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:20:42.276 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 14:20:42.286 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 14:20:42.296 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:20:42.306 CEST 2019: RMSD noise: 650.507 (10.704/10.204)
Mon May 13 14:20:42.316 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:20:42.331 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:20:42.336 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:20:42.386 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:20:42.587 CEST 2019: Number of Peaks: (55, 4)
Mon May 13 14:20:42.596 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 13 14:20:42.611 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:20:42.621 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:20:42.626 CEST 2019: Signal-to-Noise ratio: 388.52 (3.270 ppm)
Mon May 13 14:20:42.636 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:20:42.646 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:20:42.656 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 13 14:20:42.716 CEST 2019: Number of Multiplets: 97
Mon May 13 14:20:42.746 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 13 14:20:42.856 CEST 2019: Number of Peak Cluster: 22
Mon May 13 14:20:42.866 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 14:20:42.966 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 13 14:20:43.356 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 13 14:20:43.366 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:20:43.381 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:20:43.396 CEST 2019: Number of consistent PNS: 0
Mon May 13 14:20:43.406 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:20:43.426 CEST 2019: Number of consistent PNS: 35
Mon May 13 14:20:43.436 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:20:43.456 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:20:43.466 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:20:44.306 CEST 2019: Elapsed time for evaluation (BU Suite): 0.89 s.
Mon May 13 14:20:44.330 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:20:44.342 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 14:20:45.166 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Mon May 13 14:20:45.176 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:20:45.186 CEST 2019: CMC-q finished in 4.13 s.
