Mon May 06 23:28:42.324 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:28:42.341 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\75\pdata\1
Mon May 06 23:28:42.357 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:28:42.372 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:28:42.372 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:28:42.403 CEST 2019: No HSQC data available
Mon May 06 23:28:42.419 CEST 2019: No C13 data available
Mon May 06 23:28:42.435 CEST 2019: No HMBC data available
Mon May 06 23:28:42.450 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:28:42.497 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:28:43.220 CEST 2019: Structure is used: true
Mon May 06 23:28:43.251 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/75/G03.mol
Mon May 06 23:28:43.251 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.75 s.
Mon May 06 23:28:43.267 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:28:43.283 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:28:43.298 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:28:43.298 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:28:43.314 CEST 2019: Spectrum is suppressed.
Mon May 06 23:28:43.314 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:28:43.329 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:28:43.329 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:28:43.345 CEST 2019: Expected impurity: TSP
Mon May 06 23:28:43.361 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:28:43.376 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 23:28:43.376 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 23:28:43.392 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:28:43.407 CEST 2019: RMSD noise: 677.845 (-0.812/-1.312)
Mon May 06 23:28:43.407 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:28:43.423 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:28:43.439 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:28:43.470 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:28:43.784 CEST 2019: Number of Peaks: (80, 14)
Mon May 06 23:28:43.799 CEST 2019: Elapsed time for evaluation (PP Suite): 0.31 s.
Mon May 06 23:28:43.815 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:28:43.815 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:28:43.831 CEST 2019: Signal-to-Noise ratio: 179.40 (0.992 ppm)
Mon May 06 23:28:43.831 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:28:43.846 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:28:43.862 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.59 s.
Mon May 06 23:28:43.941 CEST 2019: Number of Multiplets: 174
Mon May 06 23:28:43.957 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Mon May 06 23:28:44.097 CEST 2019: Number of Peak Cluster: 27
Mon May 06 23:28:44.113 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon May 06 23:28:44.285 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 06 23:28:44.738 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s.
Mon May 06 23:28:44.769 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:28:44.785 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 23:28:44.800 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:28:44.816 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:28:44.847 CEST 2019: Number of consistent PNS: 60
Mon May 06 23:28:44.863 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Mon May 06 23:28:44.910 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.04 s.
Mon May 06 23:28:44.925 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:28:46.445 CEST 2019: Elapsed time for evaluation (BU Suite): 1.63 s.
Mon May 06 23:28:46.476 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:28:46.492 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:28:47.274 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 06 23:28:47.290 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:28:47.290 CEST 2019: CMC-q finished in 4.97 s.
