Mon May 06 23:32:30.894 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:32:30.894 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\90\pdata\1
Mon May 06 23:32:30.925 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:32:30.925 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:32:30.941 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:32:30.957 CEST 2019: No HSQC data available
Mon May 06 23:32:30.988 CEST 2019: No C13 data available
Mon May 06 23:32:31.003 CEST 2019: No HMBC data available
Mon May 06 23:32:31.019 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:32:31.072 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:32:32.201 CEST 2019: Structure is used: true
Mon May 06 23:32:32.232 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/90/H06.mol
Mon May 06 23:32:32.248 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.17 s.
Mon May 06 23:32:32.263 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:32:32.279 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:32:32.295 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:32:32.295 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:32:32.310 CEST 2019: Spectrum is suppressed.
Mon May 06 23:32:32.310 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:32:32.326 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:32:32.342 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:32:32.357 CEST 2019: Expected impurity: TSP
Mon May 06 23:32:32.357 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:32:32.373 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 23:32:32.373 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 23:32:32.388 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:32:32.404 CEST 2019: RMSD noise: 676.019 (8.886/8.386)
Mon May 06 23:32:32.404 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:32:32.420 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:32:32.435 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon May 06 23:32:32.498 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:32:32.953 CEST 2019: Number of Peaks: (114, 40)
Mon May 06 23:32:32.986 CEST 2019: Elapsed time for evaluation (PP Suite): 0.47 s.
Mon May 06 23:32:32.986 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:32:33.001 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:32:33.001 CEST 2019: Signal-to-Noise ratio: 1354.23 (0.852 ppm)
Mon May 06 23:32:33.017 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:32:33.033 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:32:33.048 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.78 s.
Mon May 06 23:32:33.236 CEST 2019: Number of Multiplets: 243
Mon May 06 23:32:33.251 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.20 s.
Mon May 06 23:32:33.470 CEST 2019: Number of Peak Cluster: 31
Mon May 06 23:32:33.470 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.20 s.
Mon May 06 23:32:33.611 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Mon May 06 23:32:34.302 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.67 s.
Mon May 06 23:32:34.335 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 23:32:34.350 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 23:32:34.397 CEST 2019: Number of consistent PNS: 10
Mon May 06 23:32:34.397 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Mon May 06 23:32:34.413 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:32:45.339 CEST 2019: Number of ASL: 282
Mon May 06 23:32:45.355 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 10.93 s.
Mon May 06 23:32:47.683 CEST 2019: Elapsed time for evaluation (IN Suite): 2.32 s.
Mon May 06 23:32:47.714 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:32:47.730 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:32:48.575 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.88 s.
Mon May 06 23:32:48.590 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:32:48.590 CEST 2019: CMC-q finished in 17.70 s.
