Mon May 06 23:19:09.853 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:19:09.853 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\38\pdata\1
Mon May 06 23:19:09.885 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:19:09.885 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:19:09.900 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:19:09.916 CEST 2019: No HSQC data available
Mon May 06 23:19:09.947 CEST 2019: No C13 data available
Mon May 06 23:19:09.963 CEST 2019: No HMBC data available
Mon May 06 23:19:09.978 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:19:10.031 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:19:10.439 CEST 2019: Structure is used: true
Mon May 06 23:19:10.470 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/38/D02.mol
Mon May 06 23:19:10.470 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.44 s.
Mon May 06 23:19:10.501 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:19:10.501 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:19:10.517 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:19:10.532 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:19:10.532 CEST 2019: Spectrum is suppressed.
Mon May 06 23:19:10.548 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:19:10.548 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:19:10.564 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:19:10.579 CEST 2019: Expected impurity: TSP
Mon May 06 23:19:10.595 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:19:10.595 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 23:19:10.610 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 23:19:10.626 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:19:10.626 CEST 2019: RMSD noise: 707.720 (9.492/8.992)
Mon May 06 23:19:10.642 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:19:10.657 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:19:10.673 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:19:10.704 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:19:10.939 CEST 2019: Number of Peaks: (48, 13)
Mon May 06 23:19:10.954 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Mon May 06 23:19:10.970 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:19:10.985 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:19:10.985 CEST 2019: Signal-to-Noise ratio: 4107.06 (2.083 ppm)
Mon May 06 23:19:11.001 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:19:11.017 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:19:11.017 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.53 s.
Mon May 06 23:19:11.110 CEST 2019: Number of Multiplets: 141
Mon May 06 23:19:11.126 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.10 s.
Mon May 06 23:19:11.457 CEST 2019: Number of Peak Cluster: 17
Mon May 06 23:19:11.488 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.34 s.
Mon May 06 23:19:11.644 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Mon May 06 23:19:11.988 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon May 06 23:19:12.004 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:19:12.019 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:19:12.035 CEST 2019: Number of consistent PNS: 4
Mon May 06 23:19:12.051 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:19:12.066 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:19:21.163 CEST 2019: Number of ASL: 129
Mon May 06 23:19:21.210 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 9.13 s.
Mon May 06 23:19:21.741 CEST 2019: Elapsed time for evaluation (IN Suite): 0.53 s.
Mon May 06 23:19:21.772 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:19:22.554 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Mon May 06 23:19:22.570 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:19:22.570 CEST 2019: CMC-q finished in 12.72 s.
