Mon May 06 23:11:19.514 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:11:19.514 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\10\pdata\1
Mon May 06 23:11:19.545 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:11:19.560 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:11:19.560 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:11:19.592 CEST 2019: No HSQC data available
Mon May 06 23:11:19.607 CEST 2019: No C13 data available
Mon May 06 23:11:19.639 CEST 2019: No HMBC data available
Mon May 06 23:11:19.639 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:11:19.685 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:11:20.077 CEST 2019: Structure is used: true
Mon May 06 23:11:20.109 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/10/A10.mol
Mon May 06 23:11:20.124 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.42 s.
Mon May 06 23:11:20.140 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:11:20.140 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:11:20.155 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:11:20.171 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:11:20.171 CEST 2019: Spectrum is suppressed.
Mon May 06 23:11:20.187 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:11:20.193 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:11:20.209 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:11:20.224 CEST 2019: Expected impurity: TSP
Mon May 06 23:11:20.224 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:11:20.240 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 23:11:20.240 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 23:11:20.256 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:11:20.271 CEST 2019: RMSD noise: 635.760 (10.704/10.204)
Mon May 06 23:11:20.271 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:11:20.287 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:11:20.303 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:11:20.349 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:11:20.554 CEST 2019: Number of Peaks: (66, 9)
Mon May 06 23:11:20.569 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 06 23:11:20.569 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:11:20.585 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:11:20.601 CEST 2019: Signal-to-Noise ratio: 3328.17 (2.138 ppm)
Mon May 06 23:11:20.601 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:11:20.616 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:11:20.632 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 06 23:11:20.679 CEST 2019: Number of Multiplets: 135
Mon May 06 23:11:20.694 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 06 23:11:20.788 CEST 2019: Number of Peak Cluster: 18
Mon May 06 23:11:20.788 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 06 23:11:20.852 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Mon May 06 23:11:21.228 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Mon May 06 23:11:21.291 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 23:11:21.306 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:11:21.322 CEST 2019: Number of consistent PNS: 4
Mon May 06 23:11:21.338 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:11:21.353 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:11:21.478 CEST 2019: Number of ASL: 48
Mon May 06 23:11:21.478 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.12 s.
Mon May 06 23:11:21.588 CEST 2019: Elapsed time for evaluation (IN Suite): 0.10 s.
Mon May 06 23:11:21.619 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:11:22.370 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 23:11:22.387 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:11:22.387 CEST 2019: CMC-q finished in 2.87 s.
