Mon May 06 23:05:39.123 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:05:39.139 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\88\pdata\1
Mon May 06 23:05:39.155 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:05:39.170 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:05:39.186 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:05:39.201 CEST 2019: No HSQC data available
Mon May 06 23:05:39.233 CEST 2019: No C13 data available
Mon May 06 23:05:39.248 CEST 2019: No HMBC data available
Mon May 06 23:05:39.264 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:05:39.311 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:05:40.062 CEST 2019: Structure is used: true
Mon May 06 23:05:40.109 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/88/H04.mol
Mon May 06 23:05:40.109 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.79 s.
Mon May 06 23:05:40.124 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:05:40.140 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:05:40.156 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:05:40.156 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:05:40.171 CEST 2019: Spectrum is suppressed.
Mon May 06 23:05:40.187 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:05:40.187 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:05:40.203 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:05:40.218 CEST 2019: Expected impurity: TSP
Mon May 06 23:05:40.234 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:05:40.234 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 23:05:40.249 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 23:05:40.249 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:05:40.265 CEST 2019: RMSD noise: 664.195 (9.492/8.992)
Mon May 06 23:05:40.281 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:05:40.296 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:05:40.296 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:05:40.343 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:05:40.702 CEST 2019: Number of Peaks: (89, 26)
Mon May 06 23:05:40.718 CEST 2019: Elapsed time for evaluation (PP Suite): 0.35 s.
Mon May 06 23:05:40.718 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:05:40.734 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:05:40.749 CEST 2019: Signal-to-Noise ratio: 750.05 (3.556 ppm)
Mon May 06 23:05:40.749 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:05:40.765 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:05:40.780 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.65 s.
Mon May 06 23:05:41.015 CEST 2019: Number of Multiplets: 241
Mon May 06 23:05:41.015 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.23 s.
Mon May 06 23:05:41.155 CEST 2019: Number of Peak Cluster: 15
Mon May 06 23:05:41.188 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.17 s.
Mon May 06 23:05:41.393 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Mon May 06 23:05:42.064 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.65 s.
Mon May 06 23:05:42.096 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 23:05:42.096 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:05:42.143 CEST 2019: Number of consistent PNS: 6
Mon May 06 23:05:42.158 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.05 s.
Mon May 06 23:05:42.205 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.03 s.
Mon May 06 23:05:51.706 CEST 2019: Number of ASL: 70
Mon May 06 23:05:51.737 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 9.52 s.
Mon May 06 23:05:54.926 CEST 2019: Elapsed time for evaluation (IN Suite): 3.19 s.
Mon May 06 23:05:54.958 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:05:55.645 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.70 s.
Mon May 06 23:05:55.661 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:05:55.661 CEST 2019: CMC-q finished in 16.54 s.
