Mon May 06 23:13:28.971 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:13:28.987 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\18\pdata\1
Mon May 06 23:13:29.002 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:13:29.018 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:13:29.033 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:13:29.049 CEST 2019: No HSQC data available
Mon May 06 23:13:29.065 CEST 2019: No C13 data available
Mon May 06 23:13:29.096 CEST 2019: No HMBC data available
Mon May 06 23:13:29.096 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:13:29.158 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:13:29.472 CEST 2019: Structure is used: true
Mon May 06 23:13:29.488 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/18/B06.mol
Mon May 06 23:13:29.503 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.34 s.
Mon May 06 23:13:29.519 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:13:29.535 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:13:29.535 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:13:29.550 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:13:29.550 CEST 2019: Spectrum is suppressed.
Mon May 06 23:13:29.566 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:13:29.582 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:13:29.582 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:13:29.597 CEST 2019: Expected impurity: TSP
Mon May 06 23:13:29.613 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:13:29.613 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 23:13:29.628 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 23:13:29.644 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:13:29.644 CEST 2019: RMSD noise: 633.175 (-0.812/-1.312)
Mon May 06 23:13:29.660 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:13:29.675 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:13:29.691 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:13:29.722 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:13:29.972 CEST 2019: Number of Peaks: (70, 18)
Mon May 06 23:13:30.019 CEST 2019: Elapsed time for evaluation (PP Suite): 0.28 s.
Mon May 06 23:13:30.035 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:13:30.050 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:13:30.050 CEST 2019: Signal-to-Noise ratio: 329.62 (8.204 ppm)
Mon May 06 23:13:30.066 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:13:30.081 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:13:30.092 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.58 s.
Mon May 06 23:13:30.138 CEST 2019: Number of Multiplets: 128
Mon May 06 23:13:30.154 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 06 23:13:30.279 CEST 2019: Number of Peak Cluster: 22
Mon May 06 23:13:30.279 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 06 23:13:30.391 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Mon May 06 23:13:30.799 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Mon May 06 23:13:30.835 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon May 06 23:13:30.851 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:13:30.866 CEST 2019: Number of consistent PNS: 4
Mon May 06 23:13:30.882 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:13:30.898 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:13:31.368 CEST 2019: Number of ASL: 104
Mon May 06 23:13:31.399 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.50 s.
Mon May 06 23:13:31.571 CEST 2019: Elapsed time for evaluation (IN Suite): 0.15 s.
Mon May 06 23:13:31.602 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:13:31.614 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:13:32.381 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Mon May 06 23:13:32.381 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:13:32.396 CEST 2019: CMC-q finished in 3.42 s.
