Mon May 13 13:35:36.482 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:35:36.486 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_D07\1\pdata\1
Mon May 13 13:35:36.502 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:35:36.512 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:35:36.522 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:35:36.542 CEST 2019: No HSQC data available
Mon May 13 13:35:36.562 CEST 2019: No C13 data available
Mon May 13 13:35:36.572 CEST 2019: No HMBC data available
Mon May 13 13:35:36.586 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:35:36.631 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:35:37.257 CEST 2019: Structure is used: true
Mon May 13 13:35:37.282 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_D07/1/0110705814.mol
Mon May 13 13:35:37.282 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.65 s.
Mon May 13 13:35:37.302 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:35:37.322 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:35:37.331 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:35:37.337 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:35:37.342 CEST 2019: Spectrum is suppressed.
Mon May 13 13:35:37.352 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:35:37.362 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:35:37.362 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:35:37.382 CEST 2019: Expected impurity: TSP
Mon May 13 13:35:37.382 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:35:37.392 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 13:35:37.402 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 13:35:37.412 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:35:37.422 CEST 2019: RMSD noise: 625.919 (-0.812/-1.312)
Mon May 13 13:35:37.431 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:35:37.432 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:35:37.442 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:35:37.482 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:35:37.672 CEST 2019: Number of Peaks: (58, 22)
Mon May 13 13:35:37.681 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:35:37.692 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:35:37.692 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:35:37.704 CEST 2019: Signal-to-Noise ratio: 683.21 (7.410 ppm)
Mon May 13 13:35:37.712 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:35:37.722 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:35:37.732 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon May 13 13:35:37.804 CEST 2019: Number of Multiplets: 190
Mon May 13 13:35:37.812 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon May 13 13:35:37.912 CEST 2019: Number of Peak Cluster: 16
Mon May 13 13:35:37.922 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 13 13:35:38.012 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 13 13:35:38.352 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Mon May 13 13:35:38.392 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:35:38.402 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:35:38.412 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:35:38.422 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:35:38.442 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:35:41.972 CEST 2019: Number of ASL: 45
Mon May 13 13:35:41.992 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.54 s.
Mon May 13 13:35:43.352 CEST 2019: Elapsed time for evaluation (IN Suite): 1.36 s.
Mon May 13 13:35:43.382 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:35:43.401 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:35:44.162 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Mon May 13 13:35:44.172 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:35:44.182 CEST 2019: CMC-q finished in 7.71 s.
