Mon May 06 23:30:34.058 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:30:34.074 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\82\pdata\1
Mon May 06 23:30:34.090 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:30:34.105 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:30:34.121 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:30:34.136 CEST 2019: No HSQC data available
Mon May 06 23:30:34.153 CEST 2019: No C13 data available
Mon May 06 23:30:34.185 CEST 2019: No HMBC data available
Mon May 06 23:30:34.185 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:30:34.247 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:30:35.123 CEST 2019: Structure is used: true
Mon May 06 23:30:35.155 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/82/G10.mol
Mon May 06 23:30:35.170 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.92 s.
Mon May 06 23:30:35.186 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:30:35.201 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:30:35.201 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:30:35.217 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:30:35.233 CEST 2019: Spectrum is suppressed.
Mon May 06 23:30:35.233 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:30:35.248 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:30:35.248 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:30:35.264 CEST 2019: Expected impurity: TSP
Mon May 06 23:30:35.280 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:30:35.295 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 23:30:35.295 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 23:30:35.311 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:30:35.326 CEST 2019: RMSD noise: 671.468 (10.704/10.204)
Mon May 06 23:30:35.326 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:30:35.342 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:30:35.358 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:30:35.405 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:30:35.625 CEST 2019: Number of Peaks: (43, 27)
Mon May 06 23:30:35.625 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 06 23:30:35.640 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:30:35.656 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:30:35.656 CEST 2019: Signal-to-Noise ratio: 4336.54 (3.758 ppm)
Mon May 06 23:30:35.672 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:30:35.672 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:30:35.687 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 06 23:30:35.736 CEST 2019: Number of Multiplets: 114
Mon May 06 23:30:35.751 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 06 23:30:35.829 CEST 2019: Number of Peak Cluster: 12
Mon May 06 23:30:35.845 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 06 23:30:36.064 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.21 s.
Mon May 06 23:30:36.407 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Mon May 06 23:30:36.423 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:30:36.438 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:30:36.454 CEST 2019: Number of consistent PNS: 6
Mon May 06 23:30:36.470 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:30:36.485 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:30:43.964 CEST 2019: Number of ASL: 28
Mon May 06 23:30:43.980 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 7.48 s.
Mon May 06 23:30:44.761 CEST 2019: Elapsed time for evaluation (IN Suite): 0.76 s.
Mon May 06 23:30:44.784 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:30:44.800 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:30:45.536 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 23:30:45.551 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:30:45.551 CEST 2019: CMC-q finished in 11.49 s.
