Mon May 06 23:24:27.202 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:24:27.202 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\59\pdata\1
Mon May 06 23:24:27.233 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:24:27.233 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:24:27.249 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:24:27.264 CEST 2019: No HSQC data available
Mon May 06 23:24:27.296 CEST 2019: No C13 data available
Mon May 06 23:24:27.311 CEST 2019: No HMBC data available
Mon May 06 23:24:27.327 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:24:27.377 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:24:27.738 CEST 2019: Structure is used: true
Mon May 06 23:24:27.753 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/59/E11.mol
Mon May 06 23:24:27.753 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.37 s.
Mon May 06 23:24:27.769 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:24:27.785 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:24:27.785 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:24:27.800 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:24:27.816 CEST 2019: Spectrum is suppressed.
Mon May 06 23:24:27.816 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:24:27.831 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:24:27.847 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:24:27.847 CEST 2019: Expected impurity: TSP
Mon May 06 23:24:27.863 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:24:27.878 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 23:24:27.878 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 23:24:27.894 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:24:27.910 CEST 2019: RMSD noise: 688.585 (6.462/5.963)
Mon May 06 23:24:27.910 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:24:27.925 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:24:27.941 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:24:27.988 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:24:28.159 CEST 2019: Number of Peaks: (27, 8)
Mon May 06 23:24:28.206 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 06 23:24:28.206 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:24:28.222 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:24:28.238 CEST 2019: Signal-to-Noise ratio: 3169.74 (2.285 ppm)
Mon May 06 23:24:28.238 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:24:28.253 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:24:28.269 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 06 23:24:28.284 CEST 2019: Number of Multiplets: 40
Mon May 06 23:24:28.300 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 06 23:24:28.363 CEST 2019: Number of Peak Cluster: 12
Mon May 06 23:24:28.378 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 06 23:24:28.456 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 06 23:24:28.817 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Mon May 06 23:24:28.833 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:24:28.849 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:24:28.864 CEST 2019: Number of consistent PNS: 2
Mon May 06 23:24:28.880 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:24:28.895 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:24:35.235 CEST 2019: Number of ASL: 375
Mon May 06 23:24:35.250 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 6.35 s.
Mon May 06 23:24:35.844 CEST 2019: Elapsed time for evaluation (IN Suite): 0.57 s.
Mon May 06 23:24:35.859 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:24:36.531 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.69 s.
Mon May 06 23:24:36.547 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:24:36.562 CEST 2019: CMC-q finished in 9.36 s.
