Mon May 13 14:01:00.884 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:01:00.895 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_C01\1\pdata\1
Mon May 13 14:01:00.918 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:01:00.928 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:01:00.939 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:01:00.966 CEST 2019: No HSQC data available
Mon May 13 14:01:00.989 CEST 2019: No C13 data available
Mon May 13 14:01:01.008 CEST 2019: No HMBC data available
Mon May 13 14:01:01.024 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:01:01.069 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:01:01.468 CEST 2019: Structure is used: true
Mon May 13 14:01:01.509 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_C01/1/0110706023.mol
Mon May 13 14:01:01.514 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.43 s.
Mon May 13 14:01:01.528 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:01:01.544 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:01:01.549 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:01:01.560 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:01:01.568 CEST 2019: Spectrum is suppressed.
Mon May 13 14:01:01.583 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:01:01.594 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:01:01.604 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:01:01.619 CEST 2019: Expected impurity: TSP
Mon May 13 14:01:01.629 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:01:01.638 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 14:01:01.648 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 14:01:01.658 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:01:01.668 CEST 2019: RMSD noise: 682.834 (-0.203/-0.703)
Mon May 13 14:01:01.678 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:01:01.694 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:01:01.699 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:01:01.758 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:01:01.964 CEST 2019: Number of Peaks: (50, 9)
Mon May 13 14:01:01.969 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 13 14:01:01.983 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:01:01.989 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:01:01.999 CEST 2019: Signal-to-Noise ratio: 2228.99 (1.321 ppm)
Mon May 13 14:01:02.008 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:01:02.019 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:01:02.034 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 13 14:01:02.083 CEST 2019: Number of Multiplets: 104
Mon May 13 14:01:02.088 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 14:01:02.209 CEST 2019: Number of Peak Cluster: 20
Mon May 13 14:01:02.219 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 13 14:01:02.433 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.20 s.
Mon May 13 14:01:02.819 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Mon May 13 14:01:02.839 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:01:02.878 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:01:02.888 CEST 2019: Number of consistent PNS: 4
Mon May 13 14:01:02.908 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:01:02.928 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:01:03.009 CEST 2019: Number of ASL: 30
Mon May 13 14:01:03.018 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon May 13 14:01:03.382 CEST 2019: Elapsed time for evaluation (IN Suite): 0.35 s.
Mon May 13 14:01:03.402 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:01:03.410 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:01:04.203 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 13 14:01:04.214 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:01:04.224 CEST 2019: CMC-q finished in 3.35 s.
