Mon May 13 13:29:42.348 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:29:42.353 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_B09\1\pdata\1
Mon May 13 13:29:42.372 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:29:42.382 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:29:42.392 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:29:42.413 CEST 2019: No HSQC data available
Mon May 13 13:29:42.433 CEST 2019: No C13 data available
Mon May 13 13:29:42.453 CEST 2019: No HMBC data available
Mon May 13 13:29:42.463 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:29:42.513 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:29:42.988 CEST 2019: Structure is used: true
Mon May 13 13:29:43.012 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_B09/1/0110705840.mol
Mon May 13 13:29:43.023 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.50 s.
Mon May 13 13:29:43.032 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:29:43.043 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:29:43.052 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:29:43.063 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:29:43.072 CEST 2019: Spectrum is suppressed.
Mon May 13 13:29:43.082 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:29:43.092 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:29:43.103 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:29:43.113 CEST 2019: Expected impurity: TSP
Mon May 13 13:29:43.122 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:29:43.133 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 13:29:43.133 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 13:29:43.149 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:29:43.153 CEST 2019: RMSD noise: 642.179 (-0.812/-1.312)
Mon May 13 13:29:43.163 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:29:43.172 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:29:43.183 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:29:43.222 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:29:43.403 CEST 2019: Number of Peaks: (52, 9)
Mon May 13 13:29:43.413 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:29:43.423 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:29:43.432 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:29:43.442 CEST 2019: Signal-to-Noise ratio: 3059.46 (1.270 ppm)
Mon May 13 13:29:43.453 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:29:43.453 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:29:43.463 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon May 13 13:29:43.512 CEST 2019: Number of Multiplets: 90
Mon May 13 13:29:43.512 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:29:43.593 CEST 2019: Number of Peak Cluster: 15
Mon May 13 13:29:43.602 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 13:29:43.683 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 13 13:29:44.013 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Mon May 13 13:29:44.050 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:29:44.063 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:29:44.072 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:29:44.083 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:29:44.093 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:29:44.163 CEST 2019: Number of ASL: 6
Mon May 13 13:29:44.163 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Mon May 13 13:29:44.308 CEST 2019: Elapsed time for evaluation (IN Suite): 0.13 s.
Mon May 13 13:29:44.322 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:29:44.332 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:29:44.948 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Mon May 13 13:29:44.953 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:29:44.963 CEST 2019: CMC-q finished in 2.62 s.
