Mon May 06 23:22:32.666 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:22:32.682 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\51\pdata\1
Mon May 06 23:22:32.697 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:22:32.713 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:22:32.729 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:22:32.744 CEST 2019: No HSQC data available
Mon May 06 23:22:32.760 CEST 2019: No C13 data available
Mon May 06 23:22:32.791 CEST 2019: No HMBC data available
Mon May 06 23:22:32.807 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:22:32.869 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 06 23:22:33.495 CEST 2019: Structure is used: true
Mon May 06 23:22:33.527 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/51/E03.mol
Mon May 06 23:22:33.527 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.66 s.
Mon May 06 23:22:33.542 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:22:33.558 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:22:33.574 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:22:33.574 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:22:33.589 CEST 2019: Spectrum is suppressed.
Mon May 06 23:22:33.605 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:22:33.605 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:22:33.620 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:22:33.636 CEST 2019: Expected impurity: TSP
Mon May 06 23:22:33.652 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:22:33.652 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 23:22:33.667 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 23:22:33.667 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:22:33.683 CEST 2019: RMSD noise: 680.933 (2.221/1.721)
Mon May 06 23:22:33.699 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:22:33.699 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:22:33.714 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:22:33.761 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:22:33.933 CEST 2019: Number of Peaks: (36, 5)
Mon May 06 23:22:33.933 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon May 06 23:22:33.949 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:22:33.964 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:22:33.964 CEST 2019: Signal-to-Noise ratio: 2637.74 (7.057 ppm)
Mon May 06 23:22:33.980 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:22:33.980 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:22:33.995 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon May 06 23:22:34.027 CEST 2019: Number of Multiplets: 65
Mon May 06 23:22:34.042 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 06 23:22:34.120 CEST 2019: Number of Peak Cluster: 12
Mon May 06 23:22:34.120 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 06 23:22:34.230 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 06 23:22:34.636 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Mon May 06 23:22:34.651 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:22:34.667 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:22:34.683 CEST 2019: Number of consistent PNS: 1
Mon May 06 23:22:34.683 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:22:34.698 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:22:34.933 CEST 2019: Number of ASL: 15
Mon May 06 23:22:34.995 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.28 s.
Mon May 06 23:22:35.479 CEST 2019: Elapsed time for evaluation (IN Suite): 0.48 s.
Mon May 06 23:22:35.682 CEST 2019: Elapsed time for evaluation (BU Suite): 0.19 s.
Mon May 06 23:22:35.714 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:22:35.714 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 06 23:22:36.442 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 06 23:22:36.458 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:22:36.458 CEST 2019: CMC-q finished in 3.79 s.
