Mon May 13 13:25:17.383 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:25:17.393 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_A03\1\pdata\1
Mon May 13 13:25:17.413 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:25:17.423 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:25:17.433 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:25:17.453 CEST 2019: No HSQC data available
Mon May 13 13:25:17.463 CEST 2019: No C13 data available
Mon May 13 13:25:17.483 CEST 2019: No HMBC data available
Mon May 13 13:25:17.493 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:25:17.533 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:25:17.843 CEST 2019: Structure is used: true
Mon May 13 13:25:17.863 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_A03/1/0110705853.mol
Mon May 13 13:25:17.874 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.33 s.
Mon May 13 13:25:17.893 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:25:17.893 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:25:17.903 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:25:17.913 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:25:17.923 CEST 2019: Spectrum is suppressed.
Mon May 13 13:25:17.923 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:25:17.933 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:25:17.943 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:25:17.953 CEST 2019: Expected impurity: TSP
Mon May 13 13:25:17.963 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:25:17.974 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 13:25:17.974 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 13:25:17.983 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Mon May 13 13:25:17.993 CEST 2019: RMSD noise: 703.032 (7.068/6.569)
Mon May 13 13:25:18.003 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:25:18.013 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:25:18.023 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:25:18.058 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:25:18.203 CEST 2019: Number of Peaks: (39, 9)
Mon May 13 13:25:18.203 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon May 13 13:25:18.213 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:25:18.223 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:25:18.233 CEST 2019: Signal-to-Noise ratio: 3402.98 (2.841 ppm)
Mon May 13 13:25:18.243 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:25:18.243 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:25:18.253 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.37 s.
Mon May 13 13:25:18.283 CEST 2019: Number of Multiplets: 64
Mon May 13 13:25:18.283 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:25:18.353 CEST 2019: Number of Peak Cluster: 19
Mon May 13 13:25:18.363 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 13:25:18.408 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 13 13:25:18.753 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon May 13 13:25:18.775 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:25:18.793 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:25:18.803 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:25:18.813 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:25:18.823 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:25:18.843 CEST 2019: Number of ASL: 1
Mon May 13 13:25:18.843 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon May 13 13:25:19.258 CEST 2019: Elapsed time for evaluation (IN Suite): 0.40 s.
Mon May 13 13:25:19.275 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:25:19.876 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Mon May 13 13:25:19.883 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:25:19.893 CEST 2019: CMC-q finished in 2.51 s.
