Mon May 13 13:36:39.501 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:36:39.501 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_D11\1\pdata\1
Mon May 13 13:36:39.522 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:36:39.532 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:36:39.542 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:36:39.562 CEST 2019: No HSQC data available
Mon May 13 13:36:39.582 CEST 2019: No C13 data available
Mon May 13 13:36:39.602 CEST 2019: No HMBC data available
Mon May 13 13:36:39.611 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:36:39.652 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:36:40.552 CEST 2019: Structure is used: true
Mon May 13 13:36:40.591 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_D11/1/0110705818.mol
Mon May 13 13:36:40.601 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.94 s.
Mon May 13 13:36:40.612 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:36:40.627 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:36:40.632 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:36:40.642 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:36:40.651 CEST 2019: Spectrum is suppressed.
Mon May 13 13:36:40.651 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:36:40.662 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:36:40.672 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:36:40.681 CEST 2019: Expected impurity: TSP
Mon May 13 13:36:40.691 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:36:40.702 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 13:36:40.711 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 13:36:40.711 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:36:40.722 CEST 2019: RMSD noise: 687.826 (10.098/9.598)
Mon May 13 13:36:40.732 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:36:40.741 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:36:40.752 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:36:40.791 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:36:40.951 CEST 2019: Number of Peaks: (44, 13)
Mon May 13 13:36:40.962 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon May 13 13:36:40.962 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:36:40.972 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:36:40.982 CEST 2019: Signal-to-Noise ratio: 1880.87 (2.963 ppm)
Mon May 13 13:36:40.991 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:36:41.002 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:36:41.002 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Mon May 13 13:36:41.034 CEST 2019: Number of Multiplets: 52
Mon May 13 13:36:41.042 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:36:41.121 CEST 2019: Number of Peak Cluster: 22
Mon May 13 13:36:41.121 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 13:36:41.160 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon May 13 13:36:41.491 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Mon May 13 13:36:41.502 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:36:41.512 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:36:41.535 CEST 2019: Number of consistent PNS: 5
Mon May 13 13:36:41.541 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:36:41.552 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:36:41.660 CEST 2019: Number of ASL: 20
Mon May 13 13:36:41.681 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.12 s.
Mon May 13 13:36:41.931 CEST 2019: Elapsed time for evaluation (IN Suite): 0.23 s.
Mon May 13 13:36:41.952 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:36:41.961 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:36:42.591 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.66 s.
Mon May 13 13:36:42.603 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:36:42.611 CEST 2019: CMC-q finished in 3.12 s.
