Wed May 08 09:17:10.565 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:17:10.565 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_21\1\pdata\1
Wed May 08 09:17:10.581 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:17:10.598 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:17:10.613 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:17:10.629 CEST 2019: No HSQC data available
Wed May 08 09:17:10.644 CEST 2019: No C13 data available
Wed May 08 09:17:10.660 CEST 2019: No HMBC data available
Wed May 08 09:17:10.676 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:17:10.707 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:17:11.358 CEST 2019: Structure is used: true
Wed May 08 09:17:11.374 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_21/1/66.mol
Wed May 08 09:17:11.374 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.66 s.
Wed May 08 09:17:11.389 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:17:11.405 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:17:11.405 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:17:11.421 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:17:11.421 CEST 2019: Spectrum is suppressed.
Wed May 08 09:17:11.436 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:17:11.436 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:17:11.452 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:17:11.452 CEST 2019: Expected impurity: TSP
Wed May 08 09:17:11.468 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:17:11.468 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 09:17:11.483 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 09:17:11.483 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:17:11.499 CEST 2019: RMSD noise: 664.807 (9.492/8.992)
Wed May 08 09:17:11.499 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:17:11.516 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:17:11.531 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:17:11.563 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:17:11.781 CEST 2019: Number of Peaks: (70, 16)
Wed May 08 09:17:11.797 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Wed May 08 09:17:11.814 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:17:11.815 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:17:11.815 CEST 2019: Signal-to-Noise ratio: 923.72 (3.835 ppm)
Wed May 08 09:17:11.831 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:17:11.831 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:17:11.847 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Wed May 08 09:17:11.909 CEST 2019: Number of Multiplets: 132
Wed May 08 09:17:11.925 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 09:17:12.020 CEST 2019: Number of Peak Cluster: 17
Wed May 08 09:17:12.035 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 09:17:12.102 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Wed May 08 09:17:12.556 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s.
Wed May 08 09:17:12.587 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 09:17:12.603 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:17:12.619 CEST 2019: Number of consistent PNS: 5
Wed May 08 09:17:12.619 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:17:12.638 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:17:17.673 CEST 2019: Number of ASL: 47
Wed May 08 09:17:17.689 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 5.04 s.
Wed May 08 09:17:19.206 CEST 2019: Elapsed time for evaluation (IN Suite): 1.51 s.
Wed May 08 09:17:19.221 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:17:19.237 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:17:19.832 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Wed May 08 09:17:19.847 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:17:19.847 CEST 2019: CMC-q finished in 9.28 s.
