Mon May 13 13:41:21.281 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:41:21.291 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_F05\1\pdata\1
Mon May 13 13:41:21.311 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:41:21.321 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:41:21.332 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:41:21.351 CEST 2019: No HSQC data available
Mon May 13 13:41:21.361 CEST 2019: No C13 data available
Mon May 13 13:41:21.381 CEST 2019: No HMBC data available
Mon May 13 13:41:21.391 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:41:21.432 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:41:21.851 CEST 2019: Structure is used: true
Mon May 13 13:41:21.881 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_F05/1/0110705788.mol
Mon May 13 13:41:21.891 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.44 s.
Mon May 13 13:41:21.901 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:41:21.911 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:41:21.921 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:41:21.933 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:41:21.941 CEST 2019: Spectrum is suppressed.
Mon May 13 13:41:21.941 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:41:21.951 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:41:21.961 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:41:21.971 CEST 2019: Expected impurity: TSP
Mon May 13 13:41:21.981 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:41:21.991 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 13 13:41:22.001 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 13 13:41:22.001 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:41:22.011 CEST 2019: RMSD noise: 646.354 (10.704/10.204)
Mon May 13 13:41:22.021 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:41:22.033 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:41:22.041 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:41:22.081 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:41:22.226 CEST 2019: Number of Peaks: (40, 11)
Mon May 13 13:41:22.233 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Mon May 13 13:41:22.241 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:41:22.251 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:41:22.261 CEST 2019: Signal-to-Noise ratio: 399.03 (3.751 ppm)
Mon May 13 13:41:22.261 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:41:22.271 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:41:22.281 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Mon May 13 13:41:22.311 CEST 2019: Number of Multiplets: 63
Mon May 13 13:41:22.311 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 13 13:41:22.381 CEST 2019: Number of Peak Cluster: 18
Mon May 13 13:41:22.391 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 13:41:22.434 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 13 13:41:22.726 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon May 13 13:41:22.751 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:41:22.761 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:41:22.771 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:41:22.781 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:41:22.796 CEST 2019: Number of consistent PNS: 35
Mon May 13 13:41:22.801 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:41:22.811 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:41:22.821 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:41:23.451 CEST 2019: Elapsed time for evaluation (BU Suite): 0.66 s.
Mon May 13 13:41:23.471 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:41:23.481 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:41:24.091 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Mon May 13 13:41:24.101 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:41:24.111 CEST 2019: CMC-q finished in 2.83 s.
