Mon May 06 22:47:51.939 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:47:51.939 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\33\pdata\1
Mon May 06 22:47:51.970 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:47:51.986 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:47:51.986 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:47:52.002 CEST 2019: No HSQC data available
Mon May 06 22:47:52.033 CEST 2019: No C13 data available
Mon May 06 22:47:52.048 CEST 2019: No HMBC data available
Mon May 06 22:47:52.064 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:47:52.131 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 06 22:47:52.539 CEST 2019: Structure is used: true
Mon May 06 22:47:52.570 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/33/C09.mol
Mon May 06 22:47:52.586 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.44 s.
Mon May 06 22:47:52.606 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:47:52.616 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:47:52.616 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:47:52.632 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:47:52.648 CEST 2019: Spectrum is suppressed.
Mon May 06 22:47:52.648 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:47:52.663 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:47:52.663 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:47:52.679 CEST 2019: Expected impurity: TSP
Mon May 06 22:47:52.694 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:47:52.710 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 22:47:52.710 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 22:47:52.726 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:47:52.741 CEST 2019: RMSD noise: 715.741 (6.462/5.963)
Mon May 06 22:47:52.741 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:47:52.757 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:47:52.773 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:47:52.804 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:47:52.993 CEST 2019: Number of Peaks: (39, 13)
Mon May 06 22:47:53.008 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 06 22:47:53.024 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:47:53.024 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:47:53.039 CEST 2019: Signal-to-Noise ratio: 519.02 (7.517 ppm)
Mon May 06 22:47:53.055 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:47:53.055 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:47:53.071 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.48 s.
Mon May 06 22:47:53.133 CEST 2019: Number of Multiplets: 133
Mon May 06 22:47:53.133 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 06 22:47:53.196 CEST 2019: Number of Peak Cluster: 8
Mon May 06 22:47:53.211 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 06 22:47:53.289 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 06 22:47:53.687 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 06 22:47:53.718 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 22:47:53.733 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:47:53.749 CEST 2019: Number of consistent PNS: 2
Mon May 06 22:47:53.765 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 22:47:53.780 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 22:47:55.030 CEST 2019: Number of ASL: 4
Mon May 06 22:47:55.046 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 1.26 s.
Mon May 06 22:47:56.108 CEST 2019: Elapsed time for evaluation (IN Suite): 1.06 s.
Mon May 06 22:47:56.139 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:47:56.155 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:47:56.842 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.72 s.
Mon May 06 22:47:56.873 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:47:56.873 CEST 2019: CMC-q finished in 4.93 s.
