Mon May 13 14:06:44.318 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:06:44.338 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_D09\1\pdata\1
Mon May 13 14:06:44.368 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:06:44.378 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:06:44.398 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:06:44.418 CEST 2019: No HSQC data available
Mon May 13 14:06:44.448 CEST 2019: No C13 data available
Mon May 13 14:06:44.478 CEST 2019: No HMBC data available
Mon May 13 14:06:44.488 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:06:44.598 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.10 s.
Mon May 13 14:06:45.108 CEST 2019: Structure is used: true
Mon May 13 14:06:45.117 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_D09/1/0110706008.mol
Mon May 13 14:06:45.128 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.52 s.
Mon May 13 14:06:45.148 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:06:45.158 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:06:45.168 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:06:45.178 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:06:45.188 CEST 2019: Spectrum is suppressed.
Mon May 13 14:06:45.198 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:06:45.218 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:06:45.228 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:06:45.248 CEST 2019: Expected impurity: TSP
Mon May 13 14:06:45.258 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:06:45.268 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 14:06:45.278 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 14:06:45.288 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:06:45.298 CEST 2019: RMSD noise: 694.438 (10.704/10.204)
Mon May 13 14:06:45.308 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:06:45.328 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:06:45.338 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:06:45.397 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Mon May 13 14:06:45.698 CEST 2019: Number of Peaks: (63, 15)
Mon May 13 14:06:45.718 CEST 2019: Elapsed time for evaluation (PP Suite): 0.32 s.
Mon May 13 14:06:45.738 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:06:45.748 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:06:45.758 CEST 2019: Signal-to-Noise ratio: 4421.55 (3.050 ppm)
Mon May 13 14:06:45.768 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:06:45.778 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:06:45.788 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.65 s.
Mon May 13 14:06:45.873 CEST 2019: Number of Multiplets: 147
Mon May 13 14:06:45.878 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon May 13 14:06:46.058 CEST 2019: Number of Peak Cluster: 18
Mon May 13 14:06:46.068 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.18 s.
Mon May 13 14:06:46.148 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 13 14:06:46.663 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.50 s.
Mon May 13 14:06:46.678 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:06:46.693 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:06:46.708 CEST 2019: Number of consistent PNS: 2
Mon May 13 14:06:46.718 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:06:46.728 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:06:47.138 CEST 2019: Number of ASL: 132
Mon May 13 14:06:47.168 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.43 s.
Mon May 13 14:06:47.848 CEST 2019: Elapsed time for evaluation (IN Suite): 0.67 s.
Mon May 13 14:06:47.878 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:06:47.888 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:06:48.688 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Mon May 13 14:06:48.698 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:06:48.708 CEST 2019: CMC-q finished in 4.39 s.
