Wed May 08 10:47:05.872 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:47:05.888 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_27\1\pdata\1
Wed May 08 10:47:05.919 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:47:05.919 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:47:05.935 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:47:05.982 CEST 2019: No HSQC data available
Wed May 08 10:47:06.013 CEST 2019: No C13 data available
Wed May 08 10:47:06.060 CEST 2019: No HMBC data available
Wed May 08 10:47:06.078 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:47:06.133 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:47:06.493 CEST 2019: Structure is used: true
Wed May 08 10:47:06.525 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_27/1/C03.mol
Wed May 08 10:47:06.525 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.39 s.
Wed May 08 10:47:06.554 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:47:06.569 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:47:06.569 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:47:06.585 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:47:06.585 CEST 2019: Spectrum is suppressed.
Wed May 08 10:47:06.601 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:47:06.616 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:47:06.616 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:47:06.632 CEST 2019: Expected impurity: TSP
Wed May 08 10:47:06.647 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:47:06.647 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 10:47:06.663 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 10:47:06.679 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 10:47:06.679 CEST 2019: RMSD noise: 658.229 (10.704/10.204)
Wed May 08 10:47:06.694 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:47:06.710 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:47:06.710 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:47:06.774 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:47:07.109 CEST 2019: Number of Peaks: (91, 10)
Wed May 08 10:47:07.124 CEST 2019: Elapsed time for evaluation (PP Suite): 0.35 s.
Wed May 08 10:47:07.140 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:47:07.140 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:47:07.156 CEST 2019: Signal-to-Noise ratio: 4035.58 (3.141 ppm)
Wed May 08 10:47:07.171 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:47:07.171 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:47:07.187 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.65 s.
Wed May 08 10:47:07.249 CEST 2019: Number of Multiplets: 138
Wed May 08 10:47:07.265 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Wed May 08 10:47:07.437 CEST 2019: Number of Peak Cluster: 33
Wed May 08 10:47:07.452 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.18 s.
Wed May 08 10:47:07.546 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Wed May 08 10:47:08.016 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s.
Wed May 08 10:47:08.032 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 10:47:08.048 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 10:47:08.063 CEST 2019: Number of consistent PNS: 0
Wed May 08 10:47:08.079 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 10:47:08.095 CEST 2019: Number of consistent PNS: 30
Wed May 08 10:47:08.110 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:47:08.126 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 10:47:08.143 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:47:09.907 CEST 2019: Elapsed time for evaluation (BU Suite): 1.82 s.
Wed May 08 10:47:09.940 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 10:47:09.940 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 10:47:10.770 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Wed May 08 10:47:10.785 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:47:10.785 CEST 2019: CMC-q finished in 4.91 s.