Mon May 06 23:27:31.526 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:27:31.542 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\71\pdata\1
Mon May 06 23:27:31.557 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:27:31.573 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:27:31.589 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:27:31.604 CEST 2019: No HSQC data available
Mon May 06 23:27:31.620 CEST 2019: No C13 data available
Mon May 06 23:27:31.636 CEST 2019: No HMBC data available
Mon May 06 23:27:31.651 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:27:31.723 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 06 23:27:32.084 CEST 2019: Structure is used: true
Mon May 06 23:27:32.084 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/71/F11.mol
Mon May 06 23:27:32.099 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.37 s.
Mon May 06 23:27:32.115 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:27:32.131 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:27:32.131 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:27:32.146 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:27:32.162 CEST 2019: Spectrum is suppressed.
Mon May 06 23:27:32.162 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:27:32.178 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:27:32.193 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:27:32.209 CEST 2019: Expected impurity: TSP
Mon May 06 23:27:32.209 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:27:32.224 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 23:27:32.224 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 23:27:32.240 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:27:32.256 CEST 2019: RMSD noise: 722.431 (-0.203/-0.703)
Mon May 06 23:27:32.303 CEST 2019: Elapsed time for evaluation (ND Suite): 0.05 s.
Mon May 06 23:27:32.318 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:27:32.318 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:27:32.366 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:27:32.491 CEST 2019: Number of Peaks: (17, 17)
Mon May 06 23:27:32.491 CEST 2019: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon May 06 23:27:32.507 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:27:32.507 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:27:32.523 CEST 2019: Signal-to-Noise ratio: 291.12 (7.322 ppm)
Mon May 06 23:27:32.538 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:27:32.538 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:27:32.554 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon May 06 23:27:32.601 CEST 2019: Number of Multiplets: 66
Mon May 06 23:27:32.601 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:27:32.648 CEST 2019: Number of Peak Cluster: 5
Mon May 06 23:27:32.663 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon May 06 23:27:32.710 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 06 23:27:33.007 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Mon May 06 23:27:33.023 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:27:33.038 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:27:33.054 CEST 2019: Number of consistent PNS: 3
Mon May 06 23:27:33.054 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:27:33.069 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:27:33.288 CEST 2019: Number of ASL: 10
Mon May 06 23:27:33.288 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.21 s.
Mon May 06 23:27:33.608 CEST 2019: Elapsed time for evaluation (IN Suite): 0.31 s.
Mon May 06 23:27:33.639 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:27:34.422 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 06 23:27:34.468 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:27:34.468 CEST 2019: CMC-q finished in 2.94 s.
