Mon May 06 23:25:37.696 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:25:37.696 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\64\pdata\1
Mon May 06 23:25:37.728 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:25:37.728 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:25:37.743 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:25:37.759 CEST 2019: No HSQC data available
Mon May 06 23:25:37.790 CEST 2019: No C13 data available
Mon May 06 23:25:37.806 CEST 2019: No HMBC data available
Mon May 06 23:25:37.821 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:25:37.868 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:25:38.606 CEST 2019: Structure is used: true
Mon May 06 23:25:38.638 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/64/F04.mol
Mon May 06 23:25:38.653 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.77 s.
Mon May 06 23:25:38.669 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:25:38.684 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:25:38.684 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:25:38.700 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:25:38.716 CEST 2019: Spectrum is suppressed.
Mon May 06 23:25:38.716 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:25:38.731 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:25:38.747 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:25:38.763 CEST 2019: Expected impurity: TSP
Mon May 06 23:25:38.763 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:25:38.778 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 06 23:25:38.778 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 06 23:25:38.794 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:25:38.809 CEST 2019: RMSD noise: 679.850 (10.704/10.204)
Mon May 06 23:25:38.809 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:25:38.825 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:25:38.841 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:25:38.888 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:25:39.184 CEST 2019: Number of Peaks: (76, 15)
Mon May 06 23:25:39.200 CEST 2019: Elapsed time for evaluation (PP Suite): 0.31 s.
Mon May 06 23:25:39.216 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:25:39.216 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:25:39.231 CEST 2019: Signal-to-Noise ratio: 3708.79 (1.280 ppm)
Mon May 06 23:25:39.247 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:25:39.247 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:25:39.269 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.60 s.
Mon May 06 23:25:39.348 CEST 2019: Number of Multiplets: 135
Mon May 06 23:25:39.348 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon May 06 23:25:39.850 CEST 2019: Number of Peak Cluster: 18
Mon May 06 23:25:39.867 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.50 s.
Mon May 06 23:25:39.945 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 06 23:25:40.492 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.54 s.
Mon May 06 23:25:40.570 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.04 s.
Mon May 06 23:25:40.586 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:25:40.601 CEST 2019: Number of consistent PNS: 1
Mon May 06 23:25:40.601 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:25:40.617 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:25:40.836 CEST 2019: Number of ASL: 24
Mon May 06 23:25:40.851 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.22 s.
Mon May 06 23:25:41.666 CEST 2019: Elapsed time for evaluation (IN Suite): 0.80 s.
Mon May 06 23:25:41.682 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:25:41.698 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:25:42.431 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 23:25:42.446 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:25:42.446 CEST 2019: CMC-q finished in 4.75 s.
