Mon May 13 13:57:28.829 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:57:28.839 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_B02\1\pdata\1
Mon May 13 13:57:28.859 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:57:28.869 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:57:28.879 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:57:28.899 CEST 2019: No HSQC data available
Mon May 13 13:57:28.919 CEST 2019: No C13 data available
Mon May 13 13:57:28.939 CEST 2019: No HMBC data available
Mon May 13 13:57:28.949 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:57:28.999 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:57:29.409 CEST 2019: Structure is used: true
Mon May 13 13:57:29.439 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_B02/1/0110706025.mol
Mon May 13 13:57:29.454 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Mon May 13 13:57:29.469 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:57:29.479 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:57:29.489 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:57:29.499 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:57:29.499 CEST 2019: Spectrum is suppressed.
Mon May 13 13:57:29.514 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:57:29.519 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:57:29.529 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:57:29.539 CEST 2019: Expected impurity: TSP
Mon May 13 13:57:29.554 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:57:29.563 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 13:57:29.569 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 13:57:29.579 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:57:29.589 CEST 2019: RMSD noise: 716.085 (5.856/5.357)
Mon May 13 13:57:29.596 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:57:29.606 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:57:29.619 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:57:29.655 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:57:29.859 CEST 2019: Number of Peaks: (60, 10)
Mon May 13 13:57:29.869 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 13 13:57:29.870 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:57:29.881 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:57:29.889 CEST 2019: Signal-to-Noise ratio: 3408.19 (2.200 ppm)
Mon May 13 13:57:29.904 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:57:29.909 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:57:29.919 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Mon May 13 13:57:29.954 CEST 2019: Number of Multiplets: 90
Mon May 13 13:57:29.959 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:57:30.069 CEST 2019: Number of Peak Cluster: 19
Mon May 13 13:57:30.079 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 13:57:30.134 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Mon May 13 13:57:30.474 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Mon May 13 13:57:30.489 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:57:30.499 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:57:30.519 CEST 2019: Number of consistent PNS: 6
Mon May 13 13:57:30.539 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 13 13:57:30.554 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:57:42.049 CEST 2019: Number of ASL: 383
Mon May 13 13:57:42.079 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 11.52 s.
Mon May 13 13:57:42.569 CEST 2019: Elapsed time for evaluation (IN Suite): 0.48 s.
Mon May 13 13:57:42.607 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:57:43.330 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 13 13:57:43.340 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:57:43.349 CEST 2019: CMC-q finished in 14.52 s.
