Mon May 13 14:14:15.187 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:14:15.197 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_F11\1\pdata\1
Mon May 13 14:14:15.217 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:14:15.227 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:14:15.237 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:14:15.267 CEST 2019: No HSQC data available
Mon May 13 14:14:15.287 CEST 2019: No C13 data available
Mon May 13 14:14:15.308 CEST 2019: No HMBC data available
Mon May 13 14:14:15.317 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:14:15.367 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:14:16.187 CEST 2019: Structure is used: true
Mon May 13 14:14:16.227 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_F11/1/0110705986.mol
Mon May 13 14:14:16.237 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.86 s.
Mon May 13 14:14:16.247 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:14:16.267 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:14:16.277 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:14:16.287 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:14:16.292 CEST 2019: Spectrum is suppressed.
Mon May 13 14:14:16.302 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:14:16.309 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:14:16.317 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:14:16.337 CEST 2019: Expected impurity: TSP
Mon May 13 14:14:16.347 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:14:16.357 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 14:14:16.367 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 14:14:16.377 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:14:16.387 CEST 2019: RMSD noise: 651.443 (10.704/10.204)
Mon May 13 14:14:16.397 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:14:16.409 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:14:16.423 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:14:16.467 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:14:16.687 CEST 2019: Number of Peaks: (49, 15)
Mon May 13 14:14:16.697 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 13 14:14:16.707 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:14:16.717 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:14:16.727 CEST 2019: Signal-to-Noise ratio: 301.78 (3.270 ppm)
Mon May 13 14:14:16.737 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:14:16.747 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:14:16.757 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 13 14:14:16.797 CEST 2019: Number of Multiplets: 106
Mon May 13 14:14:16.809 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 14:14:16.887 CEST 2019: Number of Peak Cluster: 16
Mon May 13 14:14:16.897 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 14:14:17.010 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 13 14:14:17.397 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 13 14:14:17.427 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:14:17.447 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:14:17.467 CEST 2019: Number of consistent PNS: 0
Mon May 13 14:14:17.477 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:14:17.497 CEST 2019: Number of consistent PNS: 45
Mon May 13 14:14:17.507 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:14:17.527 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:14:17.537 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:14:18.367 CEST 2019: Elapsed time for evaluation (BU Suite): 0.88 s.
Mon May 13 14:14:18.387 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:14:18.404 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 14:14:19.217 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Mon May 13 14:14:19.227 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:14:19.237 CEST 2019: CMC-q finished in 4.05 s.
