Mon May 13 14:15:02.736 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:15:02.751 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_G01\1\pdata\1
Mon May 13 14:15:02.777 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:15:02.792 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:15:02.797 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:15:02.827 CEST 2019: No HSQC data available
Mon May 13 14:15:02.847 CEST 2019: No C13 data available
Mon May 13 14:15:02.876 CEST 2019: No HMBC data available
Mon May 13 14:15:02.887 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:15:02.937 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:15:03.277 CEST 2019: Structure is used: true
Mon May 13 14:15:03.312 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_G01/1/0110705975.mol
Mon May 13 14:15:03.322 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.37 s.
Mon May 13 14:15:03.337 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:15:03.347 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:15:03.357 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:15:03.367 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:15:03.377 CEST 2019: Spectrum is suppressed.
Mon May 13 14:15:03.387 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:15:03.397 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:15:03.407 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:15:03.427 CEST 2019: Expected impurity: TSP
Mon May 13 14:15:03.437 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:15:03.447 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 14:15:03.457 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 14:15:03.467 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:15:03.477 CEST 2019: RMSD noise: 656.938 (10.098/9.598)
Mon May 13 14:15:03.487 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:15:03.497 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:15:03.507 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:15:03.557 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:15:03.717 CEST 2019: Number of Peaks: (29, 8)
Mon May 13 14:15:03.727 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon May 13 14:15:03.738 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:15:03.748 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:15:03.758 CEST 2019: Signal-to-Noise ratio: 1646.77 (7.160 ppm)
Mon May 13 14:15:03.771 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:15:03.781 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:15:03.789 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Mon May 13 14:15:03.819 CEST 2019: Number of Multiplets: 63
Mon May 13 14:15:03.829 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 14:15:03.917 CEST 2019: Number of Peak Cluster: 15
Mon May 13 14:15:03.921 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 13 14:15:03.977 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 13 14:15:04.367 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 13 14:15:04.407 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:15:04.417 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:15:04.427 CEST 2019: Number of consistent PNS: 0
Mon May 13 14:15:04.437 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:15:04.457 CEST 2019: Number of consistent PNS: 20
Mon May 13 14:15:04.467 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:15:04.477 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:15:04.486 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:15:05.344 CEST 2019: Elapsed time for evaluation (BU Suite): 0.89 s.
Mon May 13 14:15:05.367 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:15:05.377 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 14:15:06.122 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 13 14:15:06.132 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:15:06.142 CEST 2019: CMC-q finished in 3.42 s.
