Mon May 06 22:54:07.711 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:54:07.711 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\50\pdata\1
Mon May 06 22:54:07.743 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:54:07.758 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:54:07.758 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:54:07.789 CEST 2019: No HSQC data available
Mon May 06 22:54:07.805 CEST 2019: No C13 data available
Mon May 06 22:54:07.821 CEST 2019: No HMBC data available
Mon May 06 22:54:07.836 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:54:07.892 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:54:08.175 CEST 2019: Structure is used: true
Mon May 06 22:54:08.206 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/50/E02.mol
Mon May 06 22:54:08.222 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.32 s.
Mon May 06 22:54:08.237 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:54:08.237 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:54:08.253 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:54:08.268 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:54:08.268 CEST 2019: Spectrum is suppressed.
Mon May 06 22:54:08.284 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:54:08.300 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:54:08.300 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:54:08.315 CEST 2019: Expected impurity: TSP
Mon May 06 22:54:08.331 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:54:08.347 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 22:54:08.347 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 22:54:08.362 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 22:54:08.362 CEST 2019: RMSD noise: 680.242 (0.403/-0.097)
Mon May 06 22:54:08.378 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:54:08.393 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:54:08.409 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:54:08.440 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:54:08.612 CEST 2019: Number of Peaks: (38, 5)
Mon May 06 22:54:08.612 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Mon May 06 22:54:08.628 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:54:08.643 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:54:08.643 CEST 2019: Signal-to-Noise ratio: 3784.08 (1.931 ppm)
Mon May 06 22:54:08.659 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:54:08.659 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:54:08.675 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon May 06 22:54:08.706 CEST 2019: Number of Multiplets: 66
Mon May 06 22:54:08.727 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 22:54:08.805 CEST 2019: Number of Peak Cluster: 19
Mon May 06 22:54:08.820 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 06 22:54:08.945 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Mon May 06 22:54:09.275 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Mon May 06 22:54:09.290 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 22:54:09.306 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:54:09.321 CEST 2019: Number of consistent PNS: 0
Mon May 06 22:54:09.321 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 22:54:09.337 CEST 2019: Number of consistent PNS: 15
Mon May 06 22:54:09.353 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 22:54:09.368 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 22:54:09.368 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:54:10.024 CEST 2019: Elapsed time for evaluation (BU Suite): 0.68 s.
Mon May 06 22:54:10.087 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:54:10.087 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 22:54:10.808 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.74 s.
Mon May 06 22:54:10.808 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:54:10.824 CEST 2019: CMC-q finished in 3.11 s.
