Mon May 06 23:00:01.343 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:00:01.343 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\67\pdata\1
Mon May 06 23:00:01.374 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:00:01.390 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:00:01.390 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:00:01.421 CEST 2019: No HSQC data available
Mon May 06 23:00:01.437 CEST 2019: No C13 data available
Mon May 06 23:00:01.452 CEST 2019: No HMBC data available
Mon May 06 23:00:01.468 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:00:01.524 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:00:01.931 CEST 2019: Structure is used: true
Mon May 06 23:00:01.962 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/67/F07.mol
Mon May 06 23:00:01.978 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Mon May 06 23:00:01.994 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:00:01.994 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:00:02.009 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:00:02.025 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:00:02.025 CEST 2019: Spectrum is suppressed.
Mon May 06 23:00:02.040 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:00:02.056 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:00:02.056 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:00:02.072 CEST 2019: Expected impurity: TSP
Mon May 06 23:00:02.087 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:00:02.087 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]
Mon May 06 23:00:02.103 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]
Mon May 06 23:00:02.119 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:00:02.119 CEST 2019: RMSD noise: 700.467 (2.221/1.721)
Mon May 06 23:00:02.134 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:00:02.150 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:00:02.150 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:00:02.197 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:00:02.338 CEST 2019: Number of Peaks: (23, 14)
Mon May 06 23:00:02.355 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon May 06 23:00:02.370 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:00:02.370 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:00:02.386 CEST 2019: Signal-to-Noise ratio: 579.65 (7.378 ppm)
Mon May 06 23:00:02.402 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:00:02.402 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:00:02.417 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 06 23:00:02.448 CEST 2019: Number of Multiplets: 46
Mon May 06 23:00:02.448 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 06 23:00:02.511 CEST 2019: Number of Peak Cluster: 11
Mon May 06 23:00:02.527 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 06 23:00:02.605 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 06 23:00:02.948 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Mon May 06 23:00:02.948 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:00:02.964 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:00:02.980 CEST 2019: Number of consistent PNS: 3
Mon May 06 23:00:02.995 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:00:02.995 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:00:03.465 CEST 2019: Number of ASL: 144
Mon May 06 23:00:03.514 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.49 s.
Mon May 06 23:00:04.013 CEST 2019: Elapsed time for evaluation (IN Suite): 0.49 s.
Mon May 06 23:00:04.039 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:00:04.039 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:00:04.807 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Mon May 06 23:00:04.823 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:00:04.838 CEST 2019: CMC-q finished in 3.50 s.
