Wed May 08 09:23:07.808 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:23:07.808 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_41\1\pdata\1
Wed May 08 09:23:07.824 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:23:07.839 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:23:07.839 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:23:07.870 CEST 2019: No HSQC data available
Wed May 08 09:23:07.886 CEST 2019: No C13 data available
Wed May 08 09:23:07.902 CEST 2019: No HMBC data available
Wed May 08 09:23:07.917 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:23:07.980 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 09:23:08.558 CEST 2019: Structure is used: true
Wed May 08 09:23:08.573 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_41/1/36.mol
Wed May 08 09:23:08.589 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.59 s.
Wed May 08 09:23:08.605 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:23:08.605 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:23:08.620 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:23:08.620 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:23:08.636 CEST 2019: Spectrum is suppressed.
Wed May 08 09:23:08.652 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 09:23:08.652 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:23:08.667 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:23:08.683 CEST 2019: Expected impurity: TSP
Wed May 08 09:23:08.683 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:23:08.698 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 09:23:08.698 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 09:23:08.698 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:23:08.714 CEST 2019: RMSD noise: 651.738 (-0.812/-1.312)
Wed May 08 09:23:08.714 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:23:08.730 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:23:08.745 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:23:08.776 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:23:08.917 CEST 2019: Number of Peaks: (41, 3)
Wed May 08 09:23:08.933 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 09:23:08.933 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:23:08.964 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:23:08.964 CEST 2019: Signal-to-Noise ratio: 182.77 (3.270 ppm)
Wed May 08 09:23:08.980 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:23:08.980 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:23:08.995 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Wed May 08 09:23:09.026 CEST 2019: Number of Multiplets: 90
Wed May 08 09:23:09.058 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 09:23:09.120 CEST 2019: Number of Peak Cluster: 12
Wed May 08 09:23:09.120 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:23:09.245 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Wed May 08 09:23:09.526 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Wed May 08 09:23:09.542 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:23:09.558 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:23:09.558 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:23:09.573 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:23:09.589 CEST 2019: Number of consistent PNS: 25
Wed May 08 09:23:09.604 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:23:09.620 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:23:09.620 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:23:10.120 CEST 2019: Elapsed time for evaluation (BU Suite): 0.54 s.
Wed May 08 09:23:10.151 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:23:10.151 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:23:10.776 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.65 s.
Wed May 08 09:23:10.807 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:23:10.807 CEST 2019: CMC-q finished in 3.00 s.
