Mon May 06 23:01:32.087 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:01:32.087 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\73\pdata\1
Mon May 06 23:01:32.119 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:01:32.119 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:01:32.134 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:01:32.150 CEST 2019: No HSQC data available
Mon May 06 23:01:32.181 CEST 2019: No C13 data available
Mon May 06 23:01:32.197 CEST 2019: No HMBC data available
Mon May 06 23:01:32.212 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:01:32.259 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:01:32.807 CEST 2019: Structure is used: true
Mon May 06 23:01:32.823 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/73/G01.mol
Mon May 06 23:01:32.823 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.56 s.
Mon May 06 23:01:32.839 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:01:32.854 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:01:32.870 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:01:32.870 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:01:32.885 CEST 2019: Spectrum is suppressed.
Mon May 06 23:01:32.901 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:01:32.901 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:01:32.917 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:01:32.932 CEST 2019: Expected impurity: TSP
Mon May 06 23:01:32.932 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:01:32.948 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 23:01:32.964 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 23:01:32.964 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:01:32.979 CEST 2019: RMSD noise: 667.224 (5.250/4.751)
Mon May 06 23:01:32.995 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:01:32.995 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:01:33.010 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:01:33.057 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:01:33.245 CEST 2019: Number of Peaks: (37, 13)
Mon May 06 23:01:33.292 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon May 06 23:01:33.292 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:01:33.307 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:01:33.323 CEST 2019: Signal-to-Noise ratio: 733.86 (7.200 ppm)
Mon May 06 23:01:33.339 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:01:33.339 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:01:33.354 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 06 23:01:33.401 CEST 2019: Number of Multiplets: 98
Mon May 06 23:01:33.401 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:01:33.479 CEST 2019: Number of Peak Cluster: 11
Mon May 06 23:01:33.495 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 06 23:01:33.588 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 06 23:01:33.932 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon May 06 23:01:33.948 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:01:33.963 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:01:33.979 CEST 2019: Number of consistent PNS: 3
Mon May 06 23:01:33.979 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:01:33.995 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:01:34.635 CEST 2019: Number of ASL: 288
Mon May 06 23:01:34.666 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.66 s.
Mon May 06 23:01:35.372 CEST 2019: Elapsed time for evaluation (IN Suite): 0.70 s.
Mon May 06 23:01:35.403 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:01:36.106 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.72 s.
Mon May 06 23:01:36.122 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:01:36.122 CEST 2019: CMC-q finished in 4.04 s.
