Mon May 06 23:07:45.447 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:07:45.447 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\95\pdata\1
Mon May 06 23:07:45.463 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:07:45.478 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:07:45.494 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:07:45.509 CEST 2019: No HSQC data available
Mon May 06 23:07:45.541 CEST 2019: No C13 data available
Mon May 06 23:07:45.556 CEST 2019: No HMBC data available
Mon May 06 23:07:45.572 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:07:45.619 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:07:46.856 CEST 2019: Structure is used: true
Mon May 06 23:07:46.887 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/95/H11.mol
Mon May 06 23:07:46.887 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.27 s.
Mon May 06 23:07:46.903 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:07:46.918 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:07:46.918 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:07:46.934 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:07:46.950 CEST 2019: Spectrum is suppressed.
Mon May 06 23:07:46.950 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:07:46.965 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:07:46.981 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:07:46.982 CEST 2019: Expected impurity: TSP
Mon May 06 23:07:46.998 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:07:47.013 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 23:07:47.013 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 23:07:47.029 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:07:47.029 CEST 2019: RMSD noise: 688.409 (-0.812/-1.312)
Mon May 06 23:07:47.045 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:07:47.060 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:07:47.076 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:07:47.107 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:07:47.607 CEST 2019: Number of Peaks: (90, 49)
Mon May 06 23:07:47.623 CEST 2019: Elapsed time for evaluation (PP Suite): 0.51 s.
Mon May 06 23:07:47.638 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:07:47.654 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:07:47.654 CEST 2019: Signal-to-Noise ratio: 1697.95 (0.822 ppm)
Mon May 06 23:07:47.671 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:07:47.687 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:07:47.687 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.79 s.
Mon May 06 23:07:47.953 CEST 2019: Number of Multiplets: 218
Mon May 06 23:07:47.969 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.26 s.
Mon May 06 23:07:48.122 CEST 2019: Number of Peak Cluster: 16
Mon May 06 23:07:48.138 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Mon May 06 23:07:48.216 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 06 23:07:49.092 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.86 s.
Mon May 06 23:07:49.139 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon May 06 23:07:49.154 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:07:49.186 CEST 2019: Number of consistent PNS: 5
Mon May 06 23:07:49.186 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 06 23:07:49.217 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 06 23:08:05.064 CEST 2019: Number of ASL: 161
Mon May 06 23:08:05.079 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 15.85 s.
Mon May 06 23:08:10.705 CEST 2019: Elapsed time for evaluation (IN Suite): 5.62 s.
Mon May 06 23:08:10.752 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:08:11.486 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 23:08:11.502 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:08:11.517 CEST 2019: CMC-q finished in 26.07 s.
