Wed May 08 09:20:07.078 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:20:07.094 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_30\1\pdata\1
Wed May 08 09:20:07.110 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:20:07.125 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:20:07.141 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:20:07.172 CEST 2019: No HSQC data available
Wed May 08 09:20:07.219 CEST 2019: No C13 data available
Wed May 08 09:20:07.250 CEST 2019: No HMBC data available
Wed May 08 09:20:07.266 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:20:07.328 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 09:20:07.908 CEST 2019: Structure is used: true
Wed May 08 09:20:07.908 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_30/1/43.mol
Wed May 08 09:20:07.923 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.58 s.
Wed May 08 09:20:07.939 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:20:07.939 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:20:07.954 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:20:07.954 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:20:07.970 CEST 2019: Spectrum is suppressed.
Wed May 08 09:20:07.970 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:20:07.986 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:20:07.986 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:20:08.001 CEST 2019: Expected impurity: TSP
Wed May 08 09:20:08.017 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:20:08.017 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 09:20:08.033 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 09:20:08.033 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:20:08.048 CEST 2019: RMSD noise: 654.272 (5.250/4.751)
Wed May 08 09:20:08.048 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:20:08.064 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:20:08.079 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:20:08.111 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:20:08.299 CEST 2019: Number of Peaks: (52, 21)
Wed May 08 09:20:08.299 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 09:20:08.315 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:20:08.331 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:20:08.331 CEST 2019: Signal-to-Noise ratio: 235.26 (1.260 ppm)
Wed May 08 09:20:08.362 CEST 2019: Elapsed time for evaluation (SND Suite): 0.03 s.
Wed May 08 09:20:08.362 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:20:08.378 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Wed May 08 09:20:08.426 CEST 2019: Number of Multiplets: 124
Wed May 08 09:20:08.426 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 09:20:08.504 CEST 2019: Number of Peak Cluster: 17
Wed May 08 09:20:08.520 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:20:08.677 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Wed May 08 09:20:09.007 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Wed May 08 09:20:09.023 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:20:09.038 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:20:09.038 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:20:09.054 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:20:09.069 CEST 2019: Number of consistent PNS: 45
Wed May 08 09:20:09.085 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:20:09.116 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.03 s.
Wed May 08 09:20:09.132 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:20:09.883 CEST 2019: Elapsed time for evaluation (BU Suite): 0.82 s.
Wed May 08 09:20:09.899 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:20:09.899 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:20:10.528 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.65 s.
Wed May 08 09:20:10.544 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:20:10.544 CEST 2019: CMC-q finished in 3.47 s.
