Mon May 06 22:44:18.143 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:44:18.158 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\22\pdata\1
Mon May 06 22:44:18.174 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:44:18.190 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:44:18.205 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:44:18.221 CEST 2019: No HSQC data available
Mon May 06 22:44:18.237 CEST 2019: No C13 data available
Mon May 06 22:44:18.268 CEST 2019: No HMBC data available
Mon May 06 22:44:18.268 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:44:18.329 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:44:19.049 CEST 2019: Structure is used: true
Mon May 06 22:44:19.065 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/22/B10.mol
Mon May 06 22:44:19.080 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.74 s.
Mon May 06 22:44:19.096 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:44:19.112 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:44:19.112 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:44:19.127 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:44:19.127 CEST 2019: Spectrum is suppressed.
Mon May 06 22:44:19.143 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:44:19.159 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:44:19.159 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:44:19.174 CEST 2019: Expected impurity: TSP
Mon May 06 22:44:19.190 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:44:19.205 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 22:44:19.205 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 22:44:19.221 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 22:44:19.237 CEST 2019: RMSD noise: 624.193 (-0.812/-1.312)
Mon May 06 22:44:19.237 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:44:19.252 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:44:19.268 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:44:19.299 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:44:19.565 CEST 2019: Number of Peaks: (64, 15)
Mon May 06 22:44:19.580 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Mon May 06 22:44:19.596 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:44:19.612 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:44:19.612 CEST 2019: Signal-to-Noise ratio: 4202.69 (1.260 ppm)
Mon May 06 22:44:19.627 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:44:19.643 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:44:19.643 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Mon May 06 22:44:19.705 CEST 2019: Number of Multiplets: 112
Mon May 06 22:44:19.721 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 06 22:44:19.830 CEST 2019: Number of Peak Cluster: 20
Mon May 06 22:44:19.830 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 06 22:44:19.940 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Mon May 06 22:44:20.411 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.46 s.
Mon May 06 22:44:20.442 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 22:44:20.458 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:44:20.474 CEST 2019: Number of consistent PNS: 5
Mon May 06 22:44:20.474 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:44:20.489 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 22:44:20.802 CEST 2019: Number of ASL: 100
Mon May 06 22:44:20.817 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.32 s.
Mon May 06 22:44:21.145 CEST 2019: Elapsed time for evaluation (IN Suite): 0.31 s.
Mon May 06 22:44:21.177 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:44:21.192 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:44:21.911 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 06 22:44:21.911 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:44:21.927 CEST 2019: CMC-q finished in 3.78 s.
