Mon May 13 13:26:10.983 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:26:10.993 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_A06\1\pdata\1
Mon May 13 13:26:11.013 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:26:11.023 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:26:11.033 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:26:11.043 CEST 2019: No HSQC data available
Mon May 13 13:26:11.063 CEST 2019: No C13 data available
Mon May 13 13:26:11.083 CEST 2019: No HMBC data available
Mon May 13 13:26:11.093 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:26:11.133 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:26:11.523 CEST 2019: Structure is used: true
Mon May 13 13:26:11.553 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_A06/1/0110705850.mol
Mon May 13 13:26:11.553 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.41 s.
Mon May 13 13:26:11.573 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:26:11.583 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:26:11.593 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:26:11.593 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:26:11.603 CEST 2019: Spectrum is suppressed.
Mon May 13 13:26:11.613 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:26:11.623 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:26:11.623 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:26:11.643 CEST 2019: Expected impurity: TSP
Mon May 13 13:26:11.643 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:26:11.653 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 13 13:26:11.663 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 13 13:26:11.673 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:26:11.673 CEST 2019: RMSD noise: 682.983 (9.492/8.992)
Mon May 13 13:26:11.683 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:26:11.693 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:26:11.703 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:26:11.743 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:26:11.983 CEST 2019: Number of Peaks: (79, 16)
Mon May 13 13:26:11.983 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Mon May 13 13:26:11.993 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:26:12.003 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:26:12.013 CEST 2019: Signal-to-Noise ratio: 1518.53 (2.007 ppm)
Mon May 13 13:26:12.023 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:26:12.033 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:26:12.033 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.47 s.
Mon May 13 13:26:12.123 CEST 2019: Number of Multiplets: 148
Mon May 13 13:26:12.143 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.10 s.
Mon May 13 13:26:12.243 CEST 2019: Number of Peak Cluster: 18
Mon May 13 13:26:12.253 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 13 13:26:12.313 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 13 13:26:12.775 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s.
Mon May 13 13:26:12.786 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:26:12.793 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:26:12.803 CEST 2019: Number of consistent PNS: 5
Mon May 13 13:26:12.813 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:26:12.823 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:26:12.886 CEST 2019: Number of ASL: 30
Mon May 13 13:26:12.893 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Mon May 13 13:26:13.033 CEST 2019: Elapsed time for evaluation (IN Suite): 0.13 s.
Mon May 13 13:26:13.063 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:26:13.073 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:26:13.663 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Mon May 13 13:26:13.673 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:26:13.683 CEST 2019: CMC-q finished in 2.70 s.
