Mon May 06 22:51:58.190 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:51:58.206 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\44\pdata\1
Mon May 06 22:51:58.221 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:51:58.237 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:51:58.252 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:51:58.268 CEST 2019: No HSQC data available
Mon May 06 22:51:58.299 CEST 2019: No C13 data available
Mon May 06 22:51:58.315 CEST 2019: No HMBC data available
Mon May 06 22:51:58.331 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:51:58.377 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:51:59.129 CEST 2019: Structure is used: true
Mon May 06 22:51:59.160 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/44/D08.mol
Mon May 06 22:51:59.160 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.78 s.
Mon May 06 22:51:59.191 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:51:59.191 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:51:59.207 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:51:59.222 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:51:59.222 CEST 2019: Spectrum is suppressed.
Mon May 06 22:51:59.238 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:51:59.238 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:51:59.254 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:51:59.269 CEST 2019: Expected impurity: TSP
Mon May 06 22:51:59.285 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:51:59.285 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 22:51:59.300 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 22:51:59.316 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:51:59.316 CEST 2019: RMSD noise: 709.770 (8.886/8.386)
Mon May 06 22:51:59.332 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:51:59.347 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:51:59.347 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:51:59.394 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:51:59.863 CEST 2019: Number of Peaks: (77, 51)
Mon May 06 22:51:59.878 CEST 2019: Elapsed time for evaluation (PP Suite): 0.46 s.
Mon May 06 22:51:59.878 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:51:59.894 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:51:59.910 CEST 2019: Signal-to-Noise ratio: 1746.89 (3.632 ppm)
Mon May 06 22:51:59.910 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:51:59.925 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:51:59.942 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.76 s.
Mon May 06 22:52:00.162 CEST 2019: Number of Multiplets: 244
Mon May 06 22:52:00.194 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.25 s.
Mon May 06 22:52:00.350 CEST 2019: Number of Peak Cluster: 14
Mon May 06 22:52:00.350 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon May 06 22:52:00.381 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon May 06 22:52:01.147 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.75 s.
Mon May 06 22:52:01.162 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 22:52:01.178 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:52:01.459 CEST 2019: Number of consistent PNS: 4
Mon May 06 22:52:01.475 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.30 s.
Mon May 06 22:52:01.506 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 06 22:52:12.887 CEST 2019: Number of ASL: 201
Mon May 06 22:52:12.902 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 11.38 s.
Mon May 06 22:52:16.277 CEST 2019: Elapsed time for evaluation (IN Suite): 3.37 s.
Mon May 06 22:52:16.308 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:52:16.324 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:52:17.106 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 06 22:52:17.122 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:52:17.138 CEST 2019: CMC-q finished in 18.95 s.
