Mon May 13 14:16:25.296 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:16:25.306 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_G06\1\pdata\1
Mon May 13 14:16:25.327 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:16:25.342 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:16:25.352 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:16:25.373 CEST 2019: No HSQC data available
Mon May 13 14:16:25.397 CEST 2019: No C13 data available
Mon May 13 14:16:25.416 CEST 2019: No HMBC data available
Mon May 13 14:16:25.427 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:16:25.481 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:16:25.982 CEST 2019: Structure is used: true
Mon May 13 14:16:26.027 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_G06/1/0110705970.mol
Mon May 13 14:16:26.036 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.53 s.
Mon May 13 14:16:26.051 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:16:26.062 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:16:26.073 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:16:26.076 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:16:26.087 CEST 2019: Spectrum is suppressed.
Mon May 13 14:16:26.102 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:16:26.107 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:16:26.117 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:16:26.137 CEST 2019: Expected impurity: TSP
Mon May 13 14:16:26.147 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:16:26.157 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 14:16:26.166 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 14:16:26.177 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:16:26.187 CEST 2019: RMSD noise: 685.796 (1.009/0.509)
Mon May 13 14:16:26.197 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:16:26.211 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:16:26.221 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:16:26.266 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:16:26.506 CEST 2019: Number of Peaks: (65, 15)
Mon May 13 14:16:26.516 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Mon May 13 14:16:26.526 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:16:26.536 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:16:26.546 CEST 2019: Signal-to-Noise ratio: 5076.96 (1.931 ppm)
Mon May 13 14:16:26.557 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:16:26.571 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:16:26.577 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Mon May 13 14:16:26.647 CEST 2019: Number of Multiplets: 147
Mon May 13 14:16:26.657 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 13 14:16:26.787 CEST 2019: Number of Peak Cluster: 21
Mon May 13 14:16:26.796 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.13 s.
Mon May 13 14:16:27.042 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.23 s.
Mon May 13 14:16:27.479 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Mon May 13 14:16:27.530 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 13 14:16:27.542 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:16:27.563 CEST 2019: Number of consistent PNS: 6
Mon May 13 14:16:27.571 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:16:27.591 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:16:37.973 CEST 2019: Number of ASL: 133
Mon May 13 14:16:37.987 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 10.38 s.
Mon May 13 14:16:38.717 CEST 2019: Elapsed time for evaluation (IN Suite): 0.72 s.
Mon May 13 14:16:38.742 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:16:38.752 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:16:39.546 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Mon May 13 14:16:39.558 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:16:39.569 CEST 2019: CMC-q finished in 14.27 s.
