Wed May 08 16:22:41.871 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:22:41.887 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_F10\1\pdata\1
Wed May 08 16:22:41.902 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:22:41.918 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:22:41.934 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:22:41.967 CEST 2019: No HSQC data available
Wed May 08 16:22:42.014 CEST 2019: No C13 data available
Wed May 08 16:22:42.045 CEST 2019: No HMBC data available
Wed May 08 16:22:42.060 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:22:42.118 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:22:42.532 CEST 2019: Structure is used: true
Wed May 08 16:22:42.548 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_F10/1/F10.mol
Wed May 08 16:22:42.563 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.43 s.
Wed May 08 16:22:42.579 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:22:42.595 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:22:42.610 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:22:42.610 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:22:42.626 CEST 2019: Spectrum is suppressed.
Wed May 08 16:22:42.626 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:22:42.641 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:22:42.657 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:22:42.673 CEST 2019: Expected impurity: TSP
Wed May 08 16:22:42.673 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:22:42.688 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 16:22:42.704 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 16:22:42.704 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 16:22:42.720 CEST 2019: RMSD noise: 639.943 (1.009/0.509)
Wed May 08 16:22:42.737 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:22:42.741 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:22:42.756 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:22:42.804 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:22:43.010 CEST 2019: Number of Peaks: (41, 15)
Wed May 08 16:22:43.026 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Wed May 08 16:22:43.042 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:22:43.059 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:22:43.059 CEST 2019: Signal-to-Noise ratio: 4602.13 (3.888 ppm)
Wed May 08 16:22:43.074 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:22:43.090 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:22:43.090 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Wed May 08 16:22:43.121 CEST 2019: Number of Multiplets: 75
Wed May 08 16:22:43.137 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 16:22:43.230 CEST 2019: Number of Peak Cluster: 18
Wed May 08 16:22:43.230 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 16:22:43.309 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 16:22:43.683 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Wed May 08 16:22:43.699 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:22:43.715 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:22:43.730 CEST 2019: Number of consistent PNS: 3
Wed May 08 16:22:43.746 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:22:43.746 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:22:43.777 CEST 2019: Number of ASL: 16
Wed May 08 16:22:43.793 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Wed May 08 16:22:44.358 CEST 2019: Elapsed time for evaluation (IN Suite): 0.56 s.
Wed May 08 16:22:44.389 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:22:44.405 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:22:45.118 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.74 s.
Wed May 08 16:22:45.133 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:22:45.133 CEST 2019: CMC-q finished in 3.26 s.
