Wed May 08 16:21:11.555 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:21:11.570 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_F05\1\pdata\1
Wed May 08 16:21:11.586 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:21:11.602 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:21:11.617 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:21:11.664 CEST 2019: No HSQC data available
Wed May 08 16:21:11.711 CEST 2019: No C13 data available
Wed May 08 16:21:11.744 CEST 2019: No HMBC data available
Wed May 08 16:21:11.759 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:21:11.836 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 16:21:12.540 CEST 2019: Structure is used: true
Wed May 08 16:21:12.555 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_F05/1/F05.mol
Wed May 08 16:21:12.571 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.72 s.
Wed May 08 16:21:12.587 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:21:12.602 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:21:12.602 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:21:12.618 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:21:12.633 CEST 2019: Spectrum is suppressed.
Wed May 08 16:21:12.633 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:21:12.649 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:21:12.649 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:21:12.665 CEST 2019: Expected impurity: TSP
Wed May 08 16:21:12.680 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:21:12.696 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]
Wed May 08 16:21:12.696 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]
Wed May 08 16:21:12.712 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:21:12.712 CEST 2019: RMSD noise: 701.946 (7.068/6.569)
Wed May 08 16:21:12.727 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:21:12.743 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:21:12.758 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:21:12.790 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:21:13.196 CEST 2019: Number of Peaks: (33, 5)
Wed May 08 16:21:13.211 CEST 2019: Elapsed time for evaluation (PP Suite): 0.41 s.
Wed May 08 16:21:13.227 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:21:13.243 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:21:13.243 CEST 2019: Signal-to-Noise ratio: 198.35 (2.333 ppm)
Wed May 08 16:21:13.258 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:21:13.274 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:21:13.274 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.70 s.
Wed May 08 16:21:13.321 CEST 2019: Number of Multiplets: 67
Wed May 08 16:21:13.321 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 16:21:13.415 CEST 2019: Number of Peak Cluster: 15
Wed May 08 16:21:13.430 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 16:21:13.602 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Wed May 08 16:21:13.930 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Wed May 08 16:21:13.961 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:21:13.961 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:21:13.977 CEST 2019: Number of consistent PNS: 5
Wed May 08 16:21:13.993 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:21:14.008 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:21:14.055 CEST 2019: Number of ASL: 8
Wed May 08 16:21:14.071 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Wed May 08 16:21:14.227 CEST 2019: Elapsed time for evaluation (IN Suite): 0.16 s.
Wed May 08 16:21:14.258 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:21:14.274 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:21:15.086 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 16:21:15.086 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:21:15.102 CEST 2019: CMC-q finished in 3.55 s.
