Wed May 08 09:22:55.574 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:22:55.574 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_40\1\pdata\1
Wed May 08 09:22:55.605 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:22:55.605 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:22:55.621 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:22:55.637 CEST 2019: No HSQC data available
Wed May 08 09:22:55.668 CEST 2019: No C13 data available
Wed May 08 09:22:55.683 CEST 2019: No HMBC data available
Wed May 08 09:22:55.683 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:22:55.730 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:22:56.011 CEST 2019: Structure is used: true
Wed May 08 09:22:56.043 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_40/1/28.mol
Wed May 08 09:22:56.043 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.31 s.
Wed May 08 09:22:56.058 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:22:56.074 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:22:56.074 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:22:56.089 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:22:56.089 CEST 2019: Spectrum is suppressed.
Wed May 08 09:22:56.105 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:22:56.105 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:22:56.121 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:22:56.136 CEST 2019: Expected impurity: TSP
Wed May 08 09:22:56.136 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:22:56.152 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]
Wed May 08 09:22:56.168 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]
Wed May 08 09:22:56.168 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:22:56.183 CEST 2019: RMSD noise: 674.472 (9.492/8.992)
Wed May 08 09:22:56.183 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:22:56.199 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:22:56.199 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:22:56.246 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:22:56.402 CEST 2019: Number of Peaks: (40, 19)
Wed May 08 09:22:56.402 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Wed May 08 09:22:56.433 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:22:56.433 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:22:56.449 CEST 2019: Signal-to-Noise ratio: 640.32 (7.612 ppm)
Wed May 08 09:22:56.449 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:22:56.464 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:22:56.464 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.41 s.
Wed May 08 09:22:56.496 CEST 2019: Number of Multiplets: 98
Wed May 08 09:22:56.511 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:22:56.574 CEST 2019: Number of Peak Cluster: 12
Wed May 08 09:22:56.589 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 09:22:56.777 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Wed May 08 09:22:57.074 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Wed May 08 09:22:57.105 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:22:57.121 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:22:57.121 CEST 2019: Number of consistent PNS: 2
Wed May 08 09:22:57.136 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:22:57.152 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:22:57.370 CEST 2019: Number of ASL: 132
Wed May 08 09:22:57.386 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.23 s.
Wed May 08 09:22:57.683 CEST 2019: Elapsed time for evaluation (IN Suite): 0.29 s.
Wed May 08 09:22:57.698 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:22:58.292 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Wed May 08 09:22:58.292 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:22:58.308 CEST 2019: CMC-q finished in 2.73 s.
