Mon May 13 13:32:44.452 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:32:44.462 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_C09\1\pdata\1
Mon May 13 13:32:44.482 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:32:44.492 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:32:44.502 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:32:44.522 CEST 2019: No HSQC data available
Mon May 13 13:32:44.542 CEST 2019: No C13 data available
Mon May 13 13:32:44.562 CEST 2019: No HMBC data available
Mon May 13 13:32:44.562 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:32:44.612 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:32:45.182 CEST 2019: Structure is used: true
Mon May 13 13:32:45.192 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_C09/1/0110705823.mol
Mon May 13 13:32:45.192 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.56 s.
Mon May 13 13:32:45.212 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:32:45.222 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:32:45.232 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:32:45.232 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:32:45.242 CEST 2019: Spectrum is suppressed.
Mon May 13 13:32:45.252 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:32:45.262 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:32:45.272 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:32:45.282 CEST 2019: Expected impurity: TSP
Mon May 13 13:32:45.292 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:32:45.292 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 13:32:45.302 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 13:32:45.312 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:32:45.322 CEST 2019: RMSD noise: 677.566 (-0.812/-1.312)
Mon May 13 13:32:45.332 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:32:45.332 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:32:45.342 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:32:45.387 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:32:45.577 CEST 2019: Number of Peaks: (60, 8)
Mon May 13 13:32:45.582 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:32:45.592 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:32:45.592 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:32:45.602 CEST 2019: Signal-to-Noise ratio: 2604.14 (3.693 ppm)
Mon May 13 13:32:45.612 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:32:45.627 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:32:45.632 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:32:45.679 CEST 2019: Number of Multiplets: 116
Mon May 13 13:32:45.682 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:32:45.768 CEST 2019: Number of Peak Cluster: 16
Mon May 13 13:32:45.772 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 13:32:45.857 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 13 13:32:46.242 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 13 13:32:46.272 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:32:46.282 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:32:46.302 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:32:46.312 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:32:46.322 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:32:46.402 CEST 2019: Number of ASL: 16
Mon May 13 13:32:46.412 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon May 13 13:32:46.792 CEST 2019: Elapsed time for evaluation (IN Suite): 0.37 s.
Mon May 13 13:32:46.819 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:32:46.822 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:32:47.412 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Mon May 13 13:32:47.422 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:32:47.422 CEST 2019: CMC-q finished in 2.97 s.
