Mon May 13 13:56:39.689 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:56:39.699 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_A10\1\pdata\1
Mon May 13 13:56:39.719 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:56:39.729 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:56:39.739 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:56:39.749 CEST 2019: No HSQC data available
Mon May 13 13:56:39.770 CEST 2019: No C13 data available
Mon May 13 13:56:39.789 CEST 2019: No HMBC data available
Mon May 13 13:56:39.799 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:56:39.839 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:56:40.149 CEST 2019: Structure is used: true
Mon May 13 13:56:40.159 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_A10/1/0110706038.mol
Mon May 13 13:56:40.169 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.32 s.
Mon May 13 13:56:40.179 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:56:40.189 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:56:40.199 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:56:40.209 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:56:40.209 CEST 2019: Spectrum is suppressed.
Mon May 13 13:56:40.219 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:56:40.229 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:56:40.239 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:56:40.249 CEST 2019: Expected impurity: TSP
Mon May 13 13:56:40.259 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:56:40.259 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 13:56:40.269 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 13:56:40.279 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:56:40.289 CEST 2019: RMSD noise: 624.495 (-0.812/-1.312)
Mon May 13 13:56:40.299 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:56:40.299 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:56:40.319 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:56:40.354 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:56:40.499 CEST 2019: Number of Peaks: (37, 14)
Mon May 13 13:56:40.529 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Mon May 13 13:56:40.539 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:56:40.549 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:56:40.549 CEST 2019: Signal-to-Noise ratio: 1921.41 (2.096 ppm)
Mon May 13 13:56:40.559 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:56:40.569 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:56:40.579 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Mon May 13 13:56:40.609 CEST 2019: Number of Multiplets: 85
Mon May 13 13:56:40.619 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:56:40.690 CEST 2019: Number of Peak Cluster: 13
Mon May 13 13:56:40.699 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 13:56:40.749 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 13 13:56:41.049 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Mon May 13 13:56:41.059 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:56:41.069 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:56:41.079 CEST 2019: Number of consistent PNS: 2
Mon May 13 13:56:41.090 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:56:41.099 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:56:41.219 CEST 2019: Number of ASL: 12
Mon May 13 13:56:41.229 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.12 s.
Mon May 13 13:56:41.409 CEST 2019: Elapsed time for evaluation (IN Suite): 0.17 s.
Mon May 13 13:56:41.429 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:56:42.029 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Mon May 13 13:56:42.039 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:56:42.049 CEST 2019: CMC-q finished in 2.36 s.
