Mon May 13 14:09:31.087 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:09:31.098 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_E06\1\pdata\1
Mon May 13 14:09:31.118 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:09:31.137 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:09:31.147 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:09:31.173 CEST 2019: No HSQC data available
Mon May 13 14:09:31.197 CEST 2019: No C13 data available
Mon May 13 14:09:31.218 CEST 2019: No HMBC data available
Mon May 13 14:09:31.227 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:09:31.287 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:09:31.857 CEST 2019: Structure is used: true
Mon May 13 14:09:31.892 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_E06/1/0110705994.mol
Mon May 13 14:09:31.902 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.60 s.
Mon May 13 14:09:31.917 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:09:31.928 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:09:31.937 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:09:31.947 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:09:31.958 CEST 2019: Spectrum is suppressed.
Mon May 13 14:09:31.968 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:09:31.978 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:09:31.987 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:09:32.002 CEST 2019: Expected impurity: TSP
Mon May 13 14:09:32.007 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:09:32.023 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 14:09:32.028 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 14:09:32.037 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:09:32.057 CEST 2019: RMSD noise: 678.982 (10.098/9.598)
Mon May 13 14:09:32.063 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:09:32.077 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:09:32.088 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:09:32.137 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:09:32.378 CEST 2019: Number of Peaks: (54, 18)
Mon May 13 14:09:32.387 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Mon May 13 14:09:32.397 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:09:32.408 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:09:32.418 CEST 2019: Signal-to-Noise ratio: 3507.93 (3.013 ppm)
Mon May 13 14:09:32.427 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:09:32.437 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:09:32.447 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Mon May 13 14:09:32.492 CEST 2019: Number of Multiplets: 107
Mon May 13 14:09:32.502 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 14:09:32.607 CEST 2019: Number of Peak Cluster: 23
Mon May 13 14:09:32.617 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 14:09:32.727 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Mon May 13 14:09:33.158 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Mon May 13 14:09:33.167 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:09:33.188 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:09:33.207 CEST 2019: Number of consistent PNS: 7
Mon May 13 14:09:33.218 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:09:33.232 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:09:33.407 CEST 2019: Number of ASL: 12
Mon May 13 14:09:33.447 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.21 s.
Mon May 13 14:09:34.160 CEST 2019: Elapsed time for evaluation (IN Suite): 0.70 s.
Mon May 13 14:09:34.180 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:09:34.197 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:09:34.957 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Mon May 13 14:09:34.960 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:09:34.967 CEST 2019: CMC-q finished in 3.88 s.
