Mon May 06 23:20:08.893 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:20:08.908 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\42\pdata\1
Mon May 06 23:20:08.924 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:20:08.940 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:20:08.955 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:20:08.971 CEST 2019: No HSQC data available
Mon May 06 23:20:08.987 CEST 2019: No C13 data available
Mon May 06 23:20:09.018 CEST 2019: No HMBC data available
Mon May 06 23:20:09.018 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:20:09.082 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:20:09.520 CEST 2019: Structure is used: true
Mon May 06 23:20:09.520 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/42/D06.mol
Mon May 06 23:20:09.536 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Mon May 06 23:20:09.552 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:20:09.567 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:20:09.567 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:20:09.583 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:20:09.599 CEST 2019: Spectrum is suppressed.
Mon May 06 23:20:09.599 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:20:09.614 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:20:09.621 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:20:09.636 CEST 2019: Expected impurity: TSP
Mon May 06 23:20:09.652 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:20:09.652 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 06 23:20:09.668 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 06 23:20:09.683 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:20:09.683 CEST 2019: RMSD noise: 675.526 (-0.812/-1.312)
Mon May 06 23:20:09.699 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:20:09.715 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:20:09.715 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:20:09.761 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:20:09.997 CEST 2019: Number of Peaks: (48, 22)
Mon May 06 23:20:10.028 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon May 06 23:20:10.049 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:20:10.049 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:20:10.064 CEST 2019: Signal-to-Noise ratio: 1656.45 (8.567 ppm)
Mon May 06 23:20:10.080 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:20:10.080 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:20:10.096 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s.
Mon May 06 23:20:10.127 CEST 2019: Number of Multiplets: 82
Mon May 06 23:20:10.142 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:20:10.252 CEST 2019: Number of Peak Cluster: 26
Mon May 06 23:20:10.267 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 06 23:20:10.378 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Mon May 06 23:20:10.753 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Mon May 06 23:20:10.768 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:20:10.768 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:20:10.800 CEST 2019: Number of consistent PNS: 5
Mon May 06 23:20:10.800 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:20:10.815 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:20:10.862 CEST 2019: Number of ASL: 8
Mon May 06 23:20:10.862 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon May 06 23:20:11.128 CEST 2019: Elapsed time for evaluation (IN Suite): 0.26 s.
Mon May 06 23:20:11.160 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:20:11.176 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:20:11.912 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 23:20:11.927 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:20:11.943 CEST 2019: CMC-q finished in 3.05 s.
