Mon May 06 23:10:55.351 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:10:55.351 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\8\pdata\1
Mon May 06 23:10:55.383 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:10:55.383 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:10:55.398 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:10:55.414 CEST 2019: No HSQC data available
Mon May 06 23:10:55.445 CEST 2019: No C13 data available
Mon May 06 23:10:55.461 CEST 2019: No HMBC data available
Mon May 06 23:10:55.476 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:10:55.532 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:10:56.033 CEST 2019: Structure is used: true
Mon May 06 23:10:56.064 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/8/A08.mol
Mon May 06 23:10:56.064 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.53 s.
Mon May 06 23:10:56.096 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:10:56.096 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:10:56.111 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:10:56.127 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:10:56.127 CEST 2019: Spectrum is suppressed.
Mon May 06 23:10:56.142 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:10:56.158 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:10:56.158 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:10:56.174 CEST 2019: Expected impurity: TSP
Mon May 06 23:10:56.189 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:10:56.205 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 23:10:56.205 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 23:10:56.221 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:10:56.236 CEST 2019: RMSD noise: 677.826 (2.221/1.721)
Mon May 06 23:10:56.236 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:10:56.251 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:10:56.267 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:10:56.314 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:10:56.534 CEST 2019: Number of Peaks: (49, 17)
Mon May 06 23:10:56.549 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Mon May 06 23:10:56.565 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:10:56.565 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:10:56.581 CEST 2019: Signal-to-Noise ratio: 5347.55 (3.085 ppm)
Mon May 06 23:10:56.596 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:10:56.596 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:10:56.612 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.53 s.
Mon May 06 23:10:56.659 CEST 2019: Number of Multiplets: 97
Mon May 06 23:10:56.674 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 06 23:10:56.768 CEST 2019: Number of Peak Cluster: 19
Mon May 06 23:10:56.784 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 06 23:10:56.893 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Mon May 06 23:10:57.299 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.39 s.
Mon May 06 23:10:57.315 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:10:57.331 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:10:57.346 CEST 2019: Number of consistent PNS: 5
Mon May 06 23:10:57.362 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:10:57.362 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:10:57.565 CEST 2019: Number of ASL: 60
Mon May 06 23:10:57.596 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.22 s.
Mon May 06 23:10:57.974 CEST 2019: Elapsed time for evaluation (IN Suite): 0.36 s.
Mon May 06 23:10:57.990 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:10:58.005 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:10:58.724 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 06 23:10:58.739 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:10:58.739 CEST 2019: CMC-q finished in 3.39 s.
