Mon May 13 13:43:15.811 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:43:15.821 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_F12\1\pdata\1
Mon May 13 13:43:15.842 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:43:15.851 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:43:15.861 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:43:15.881 CEST 2019: No HSQC data available
Mon May 13 13:43:15.901 CEST 2019: No C13 data available
Mon May 13 13:43:15.921 CEST 2019: No HMBC data available
Mon May 13 13:43:15.931 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:43:15.971 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:43:16.361 CEST 2019: Structure is used: true
Mon May 13 13:43:16.381 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_F12/1/0110705795.mol
Mon May 13 13:43:16.391 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.41 s.
Mon May 13 13:43:16.410 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:43:16.421 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:43:16.421 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:43:16.431 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:43:16.443 CEST 2019: Spectrum is suppressed.
Mon May 13 13:43:16.451 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:43:16.461 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:43:16.462 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:43:16.471 CEST 2019: Expected impurity: TSP
Mon May 13 13:43:16.481 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:43:16.491 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 13:43:16.501 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 13:43:16.510 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:43:16.521 CEST 2019: RMSD noise: 701.284 (5.856/5.357)
Mon May 13 13:43:16.521 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:43:16.531 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:43:16.543 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:43:16.581 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:43:16.741 CEST 2019: Number of Peaks: (47, 13)
Mon May 13 13:43:16.743 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Mon May 13 13:43:16.751 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:43:16.760 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:43:16.770 CEST 2019: Signal-to-Noise ratio: 507.03 (8.030 ppm)
Mon May 13 13:43:16.781 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:43:16.791 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:43:16.791 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Mon May 13 13:43:16.825 CEST 2019: Number of Multiplets: 96
Mon May 13 13:43:16.830 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:43:16.891 CEST 2019: Number of Peak Cluster: 17
Mon May 13 13:43:16.901 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 13:43:16.941 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 13 13:43:17.241 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Mon May 13 13:43:17.271 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:43:17.285 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:43:17.301 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:43:17.301 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:43:17.311 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:43:17.341 CEST 2019: Number of ASL: 10
Mon May 13 13:43:17.351 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon May 13 13:43:17.501 CEST 2019: Elapsed time for evaluation (IN Suite): 0.14 s.
Mon May 13 13:43:17.521 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:43:18.085 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Mon May 13 13:43:18.091 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:43:18.101 CEST 2019: CMC-q finished in 2.29 s.
