Mon May 06 23:01:55.736 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:01:55.736 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\75\pdata\1
Mon May 06 23:01:55.767 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:01:55.767 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:01:55.783 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:01:55.798 CEST 2019: No HSQC data available
Mon May 06 23:01:55.829 CEST 2019: No C13 data available
Mon May 06 23:01:55.845 CEST 2019: No HMBC data available
Mon May 06 23:01:55.861 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:01:55.915 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:01:56.306 CEST 2019: Structure is used: true
Mon May 06 23:01:56.338 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/75/G03.mol
Mon May 06 23:01:56.353 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.43 s.
Mon May 06 23:01:56.369 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:01:56.385 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:01:56.385 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:01:56.400 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:01:56.416 CEST 2019: Spectrum is suppressed.
Mon May 06 23:01:56.416 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:01:56.431 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:01:56.447 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:01:56.463 CEST 2019: Expected impurity: TSP
Mon May 06 23:01:56.463 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:01:56.478 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 23:01:56.478 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 23:01:56.494 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:01:56.510 CEST 2019: RMSD noise: 641.317 (-0.203/-0.703)
Mon May 06 23:01:56.510 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:01:56.525 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:01:56.541 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:01:56.588 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:01:56.791 CEST 2019: Number of Peaks: (52, 12)
Mon May 06 23:01:56.806 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 06 23:01:56.806 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:01:56.822 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:01:56.838 CEST 2019: Signal-to-Noise ratio: 2913.36 (1.133 ppm)
Mon May 06 23:01:56.838 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:01:56.853 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:01:56.869 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 06 23:01:56.900 CEST 2019: Number of Multiplets: 74
Mon May 06 23:01:56.916 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:01:57.009 CEST 2019: Number of Peak Cluster: 19
Mon May 06 23:01:57.025 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 06 23:01:57.072 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 06 23:01:57.494 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Mon May 06 23:01:57.509 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:01:57.525 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:01:57.525 CEST 2019: Number of consistent PNS: 2
Mon May 06 23:01:57.540 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:01:57.556 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:01:57.587 CEST 2019: Number of ASL: 6
Mon May 06 23:01:57.603 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon May 06 23:01:57.665 CEST 2019: Elapsed time for evaluation (IN Suite): 0.05 s.
Mon May 06 23:01:57.681 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:01:57.744 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:01:57.744 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:01:58.465 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Mon May 06 23:01:58.481 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:01:58.496 CEST 2019: CMC-q finished in 2.76 s.
