Mon May 13 13:34:45.083 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:34:45.092 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_D04\1\pdata\1
Mon May 13 13:34:45.112 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:34:45.122 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:34:45.132 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:34:45.152 CEST 2019: No HSQC data available
Mon May 13 13:34:45.172 CEST 2019: No C13 data available
Mon May 13 13:34:45.183 CEST 2019: No HMBC data available
Mon May 13 13:34:45.192 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:34:45.232 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:34:45.472 CEST 2019: Structure is used: true
Mon May 13 13:34:45.502 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_D04/1/0110705811.mol
Mon May 13 13:34:45.512 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.26 s.
Mon May 13 13:34:45.522 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:34:45.532 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:34:45.542 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:34:45.552 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:34:45.552 CEST 2019: Spectrum is suppressed.
Mon May 13 13:34:45.562 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:34:45.572 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:34:45.582 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:34:45.592 CEST 2019: Expected impurity: TSP
Mon May 13 13:34:45.602 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:34:45.602 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 13:34:45.612 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 13:34:45.622 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:34:45.632 CEST 2019: RMSD noise: 682.430 (0.403/-0.097)
Mon May 13 13:34:45.632 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:34:45.642 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:34:45.652 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:34:45.692 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:34:45.822 CEST 2019: Number of Peaks: (30, 8)
Mon May 13 13:34:45.832 CEST 2019: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon May 13 13:34:45.842 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:34:45.842 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:34:45.852 CEST 2019: Signal-to-Noise ratio: 764.22 (8.501 ppm)
Mon May 13 13:34:45.862 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:34:45.872 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:34:45.882 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.36 s.
Mon May 13 13:34:45.907 CEST 2019: Number of Multiplets: 68
Mon May 13 13:34:45.912 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:34:45.972 CEST 2019: Number of Peak Cluster: 14
Mon May 13 13:34:45.984 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:34:46.184 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Mon May 13 13:34:46.484 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Mon May 13 13:34:46.512 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:34:46.522 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:34:46.532 CEST 2019: Number of consistent PNS: 2
Mon May 13 13:34:46.542 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:34:46.552 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:34:46.607 CEST 2019: Number of ASL: 48
Mon May 13 13:34:46.612 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon May 13 13:34:46.802 CEST 2019: Elapsed time for evaluation (IN Suite): 0.18 s.
Mon May 13 13:34:46.822 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:34:46.832 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:34:46.842 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:34:47.482 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.67 s.
Mon May 13 13:34:47.492 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:34:47.492 CEST 2019: CMC-q finished in 2.41 s.
