Wed May 08 09:20:19.861 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:20:19.876 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_31\1\pdata\1
Wed May 08 09:20:19.892 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:20:19.908 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:20:19.908 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:20:19.939 CEST 2019: No HSQC data available
Wed May 08 09:20:19.955 CEST 2019: No C13 data available
Wed May 08 09:20:19.970 CEST 2019: No HMBC data available
Wed May 08 09:20:19.970 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:20:20.017 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:20:20.520 CEST 2019: Structure is used: true
Wed May 08 09:20:20.535 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_31/1/51.mol
Wed May 08 09:20:20.551 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.52 s.
Wed May 08 09:20:20.567 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:20:20.567 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:20:20.582 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:20:20.582 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:20:20.598 CEST 2019: Spectrum is suppressed.
Wed May 08 09:20:20.598 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:20:20.613 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:20:20.613 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:20:20.629 CEST 2019: Expected impurity: TSP
Wed May 08 09:20:20.629 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:20:20.645 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 09:20:20.645 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 09:20:20.660 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:20:20.660 CEST 2019: RMSD noise: 665.190 (-0.203/-0.703)
Wed May 08 09:20:20.676 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:20:20.693 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:20:20.693 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:20:20.740 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:20:20.911 CEST 2019: Number of Peaks: (52, 23)
Wed May 08 09:20:20.911 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 09:20:20.927 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:20:20.927 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:20:20.943 CEST 2019: Signal-to-Noise ratio: 1427.44 (3.565 ppm)
Wed May 08 09:20:20.943 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:20:20.958 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:20:20.958 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.41 s.
Wed May 08 09:20:21.005 CEST 2019: Number of Multiplets: 121
Wed May 08 09:20:21.021 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:20:21.099 CEST 2019: Number of Peak Cluster: 20
Wed May 08 09:20:21.115 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 09:20:21.240 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Wed May 08 09:20:21.583 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Wed May 08 09:20:21.599 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:20:21.614 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:20:21.630 CEST 2019: Number of consistent PNS: 3
Wed May 08 09:20:21.630 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:20:21.646 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:20:21.850 CEST 2019: Number of ASL: 16
Wed May 08 09:20:21.866 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.20 s.
Wed May 08 09:20:22.258 CEST 2019: Elapsed time for evaluation (IN Suite): 0.39 s.
Wed May 08 09:20:22.273 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:20:22.289 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:20:22.839 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Wed May 08 09:20:22.854 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:20:22.854 CEST 2019: CMC-q finished in 2.99 s.
