Mon May 06 23:14:22.550 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:14:22.550 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\21\pdata\1
Mon May 06 23:14:22.581 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:14:22.581 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:14:22.597 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:14:22.612 CEST 2019: No HSQC data available
Mon May 06 23:14:22.644 CEST 2019: No C13 data available
Mon May 06 23:14:22.659 CEST 2019: No HMBC data available
Mon May 06 23:14:22.675 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:14:22.725 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:14:23.101 CEST 2019: Structure is used: true
Mon May 06 23:14:23.133 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/21/B09.mol
Mon May 06 23:14:23.148 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.42 s.
Mon May 06 23:14:23.164 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:14:23.180 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:14:23.180 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:14:23.195 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:14:23.211 CEST 2019: Spectrum is suppressed.
Mon May 06 23:14:23.211 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:14:23.226 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:14:23.226 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:14:23.242 CEST 2019: Expected impurity: TSP
Mon May 06 23:14:23.258 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:14:23.273 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 23:14:23.273 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 23:14:23.289 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:14:23.305 CEST 2019: RMSD noise: 661.747 (5.250/4.751)
Mon May 06 23:14:23.305 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:14:23.320 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:14:23.336 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:14:23.383 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:14:23.586 CEST 2019: Number of Peaks: (42, 5)
Mon May 06 23:14:23.586 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 06 23:14:23.601 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:14:23.617 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:14:23.617 CEST 2019: Signal-to-Noise ratio: 55.31 (5.377 ppm)
Mon May 06 23:14:23.633 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:14:23.648 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:14:23.648 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 06 23:14:23.711 CEST 2019: Number of Multiplets: 88
Mon May 06 23:14:23.726 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 06 23:14:23.789 CEST 2019: Number of Peak Cluster: 10
Mon May 06 23:14:23.804 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 06 23:14:23.914 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Mon May 06 23:14:24.336 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Mon May 06 23:14:24.382 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:14:24.398 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:14:24.414 CEST 2019: Number of consistent PNS: 3
Mon May 06 23:14:24.429 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:14:24.445 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:14:24.523 CEST 2019: Number of ASL: 21
Mon May 06 23:14:24.539 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon May 06 23:14:24.554 CEST 2019: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon May 06 23:14:24.963 CEST 2019: Elapsed time for evaluation (BU Suite): 0.39 s.
Mon May 06 23:14:24.979 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:14:24.994 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 06 23:14:25.652 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.69 s.
Mon May 06 23:14:25.667 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:14:25.667 CEST 2019: CMC-q finished in 3.12 s.
