Mon May 13 14:04:14.638 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:04:14.648 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_C12\1\pdata\1
Mon May 13 14:04:14.673 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:04:14.688 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:04:14.698 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:04:14.723 CEST 2019: No HSQC data available
Mon May 13 14:04:14.748 CEST 2019: No C13 data available
Mon May 13 14:04:14.773 CEST 2019: No HMBC data available
Mon May 13 14:04:14.778 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:04:14.838 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:04:15.248 CEST 2019: Structure is used: true
Mon May 13 14:04:15.288 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_C12/1/0110706012.mol
Mon May 13 14:04:15.298 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Mon May 13 14:04:15.318 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:04:15.328 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:04:15.338 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:04:15.348 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:04:15.358 CEST 2019: Spectrum is suppressed.
Mon May 13 14:04:15.368 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:04:15.378 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:04:15.388 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:04:15.403 CEST 2019: Expected impurity: TSP
Mon May 13 14:04:15.418 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:04:15.428 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 14:04:15.438 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 14:04:15.448 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:04:15.458 CEST 2019: RMSD noise: 715.118 (5.856/5.357)
Mon May 13 14:04:15.473 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:04:15.488 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:04:15.498 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:04:15.563 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Mon May 13 14:04:15.858 CEST 2019: Number of Peaks: (52, 4)
Mon May 13 14:04:15.868 CEST 2019: Elapsed time for evaluation (PP Suite): 0.30 s.
Mon May 13 14:04:15.888 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:04:15.908 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:04:15.923 CEST 2019: Signal-to-Noise ratio: 5535.32 (2.362 ppm)
Mon May 13 14:04:15.938 CEST 2019: Elapsed time for evaluation (SND Suite): 0.02 s.
Mon May 13 14:04:15.948 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:04:15.968 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.66 s.
Mon May 13 14:04:16.078 CEST 2019: Number of Multiplets: 108
Mon May 13 14:04:16.088 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.10 s.
Mon May 13 14:04:16.238 CEST 2019: Number of Peak Cluster: 17
Mon May 13 14:04:16.248 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon May 13 14:04:16.423 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 13 14:04:16.913 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.48 s.
Mon May 13 14:04:16.948 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 13 14:04:16.988 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:04:17.008 CEST 2019: Number of consistent PNS: 6
Mon May 13 14:04:17.018 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:04:17.033 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:04:17.443 CEST 2019: Number of ASL: 78
Mon May 13 14:04:17.448 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.41 s.
Mon May 13 14:04:18.038 CEST 2019: Elapsed time for evaluation (IN Suite): 0.58 s.
Mon May 13 14:04:18.063 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:04:18.073 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:04:18.763 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.71 s.
Mon May 13 14:04:18.773 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:04:18.778 CEST 2019: CMC-q finished in 4.14 s.
