Mon May 06 23:33:23.529 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:33:23.529 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\92\pdata\1
Mon May 06 23:33:23.560 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:33:23.576 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:33:23.576 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:33:23.607 CEST 2019: No HSQC data available
Mon May 06 23:33:23.650 CEST 2019: No C13 data available
Mon May 06 23:33:23.666 CEST 2019: No HMBC data available
Mon May 06 23:33:23.681 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:33:23.728 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:33:24.481 CEST 2019: Structure is used: true
Mon May 06 23:33:24.512 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/92/H08.mol
Mon May 06 23:33:24.528 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.79 s.
Mon May 06 23:33:24.543 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:33:24.559 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:33:24.559 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:33:24.574 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:33:24.590 CEST 2019: Spectrum is suppressed.
Mon May 06 23:33:24.590 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:33:24.606 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:33:24.621 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:33:24.637 CEST 2019: Expected impurity: TSP
Mon May 06 23:33:24.637 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:33:24.653 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 23:33:24.668 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 23:33:24.668 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:33:24.684 CEST 2019: RMSD noise: 637.234 (-0.812/-1.312)
Mon May 06 23:33:24.699 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:33:24.699 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:33:24.715 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:33:24.762 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:33:25.137 CEST 2019: Number of Peaks: (82, 37)
Mon May 06 23:33:25.137 CEST 2019: Elapsed time for evaluation (PP Suite): 0.37 s.
Mon May 06 23:33:25.152 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:33:25.168 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:33:25.168 CEST 2019: Signal-to-Noise ratio: 1365.26 (7.414 ppm)
Mon May 06 23:33:25.184 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:33:25.199 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:33:25.215 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.67 s.
Mon May 06 23:33:25.355 CEST 2019: Number of Multiplets: 209
Mon May 06 23:33:25.355 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.14 s.
Mon May 06 23:33:25.498 CEST 2019: Number of Peak Cluster: 17
Mon May 06 23:33:25.498 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Mon May 06 23:33:25.670 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Mon May 06 23:33:26.265 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.59 s.
Mon May 06 23:33:26.343 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.04 s.
Mon May 06 23:33:26.359 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:33:26.375 CEST 2019: Number of consistent PNS: 3
Mon May 06 23:33:26.390 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:33:26.406 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:33:47.365 CEST 2019: Number of ASL: 201
Mon May 06 23:33:47.380 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 20.96 s.
Mon May 06 23:33:49.099 CEST 2019: Elapsed time for evaluation (IN Suite): 1.71 s.
Mon May 06 23:33:49.131 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:33:49.877 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 23:33:49.877 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:33:49.893 CEST 2019: CMC-q finished in 26.36 s.
