Wed May 08 09:25:33.291 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:25:33.307 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_52\1\pdata\1
Wed May 08 09:25:33.323 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:25:33.338 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:25:33.338 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:25:33.369 CEST 2019: No HSQC data available
Wed May 08 09:25:33.385 CEST 2019: No C13 data available
Wed May 08 09:25:33.401 CEST 2019: No HMBC data available
Wed May 08 09:25:33.416 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:25:33.494 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 09:25:34.260 CEST 2019: Structure is used: true
Wed May 08 09:25:34.275 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_52/1/29.mol
Wed May 08 09:25:34.275 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.78 s.
Wed May 08 09:25:34.291 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:25:34.307 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:25:34.324 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:25:34.324 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:25:34.339 CEST 2019: Spectrum is suppressed.
Wed May 08 09:25:34.339 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 09:25:34.355 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:25:34.355 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:25:34.371 CEST 2019: Expected impurity: TSP
Wed May 08 09:25:34.386 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:25:34.402 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 09:25:34.402 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 09:25:34.417 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:25:34.433 CEST 2019: RMSD noise: 645.229 (1.009/0.509)
Wed May 08 09:25:34.433 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:25:34.449 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:25:34.464 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:25:34.496 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:25:34.667 CEST 2019: Number of Peaks: (43, 6)
Wed May 08 09:25:34.683 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 09:25:34.699 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:25:34.699 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:25:34.714 CEST 2019: Signal-to-Noise ratio: 180.65 (3.269 ppm)
Wed May 08 09:25:34.730 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:25:34.745 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:25:34.745 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Wed May 08 09:25:34.792 CEST 2019: Number of Multiplets: 80
Wed May 08 09:25:34.792 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:25:34.880 CEST 2019: Number of Peak Cluster: 22
Wed May 08 09:25:34.880 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:25:35.069 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Wed May 08 09:25:35.354 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Wed May 08 09:25:35.354 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:25:35.370 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:25:35.401 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:25:35.416 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Wed May 08 09:25:35.432 CEST 2019: Number of consistent PNS: 40
Wed May 08 09:25:35.448 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:25:35.479 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 09:25:35.479 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:25:35.967 CEST 2019: Elapsed time for evaluation (BU Suite): 0.53 s.
Wed May 08 09:25:35.983 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:25:35.999 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:25:36.630 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.66 s.
Wed May 08 09:25:36.646 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:25:36.646 CEST 2019: CMC-q finished in 3.35 s.
