Mon May 06 23:31:07.187 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:31:07.203 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\84\pdata\1
Mon May 06 23:31:07.215 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:31:07.230 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:31:07.246 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:31:07.261 CEST 2019: No HSQC data available
Mon May 06 23:31:07.277 CEST 2019: No C13 data available
Mon May 06 23:31:07.308 CEST 2019: No HMBC data available
Mon May 06 23:31:07.308 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:31:07.371 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:31:07.888 CEST 2019: Structure is used: true
Mon May 06 23:31:07.919 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/84/G12.mol
Mon May 06 23:31:07.934 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.56 s.
Mon May 06 23:31:07.950 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:31:07.950 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:31:07.966 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:31:07.981 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:31:07.981 CEST 2019: Spectrum is suppressed.
Mon May 06 23:31:07.997 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:31:08.013 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:31:08.013 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:31:08.028 CEST 2019: Expected impurity: TSP
Mon May 06 23:31:08.049 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:31:08.049 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 23:31:08.064 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 23:31:08.080 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:31:08.080 CEST 2019: RMSD noise: 645.515 (-0.812/-1.312)
Mon May 06 23:31:08.096 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:31:08.096 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:31:08.111 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:31:08.158 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:31:08.361 CEST 2019: Number of Peaks: (53, 12)
Mon May 06 23:31:08.377 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 06 23:31:08.377 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:31:08.392 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:31:08.408 CEST 2019: Signal-to-Noise ratio: 4943.95 (3.454 ppm)
Mon May 06 23:31:08.408 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:31:08.424 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:31:08.439 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 06 23:31:08.472 CEST 2019: Number of Multiplets: 93
Mon May 06 23:31:08.519 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 06 23:31:08.612 CEST 2019: Number of Peak Cluster: 24
Mon May 06 23:31:08.612 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 06 23:31:08.708 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 06 23:31:09.100 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 06 23:31:09.115 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:31:09.115 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:31:09.131 CEST 2019: Number of consistent PNS: 3
Mon May 06 23:31:09.147 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:31:09.162 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:31:09.209 CEST 2019: Number of ASL: 18
Mon May 06 23:31:09.225 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon May 06 23:31:09.726 CEST 2019: Elapsed time for evaluation (IN Suite): 0.50 s.
Mon May 06 23:31:09.773 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:31:09.773 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:31:09.788 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:31:10.508 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 23:31:10.540 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:31:10.540 CEST 2019: CMC-q finished in 3.35 s.
