Wed May 08 09:26:10.481 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:26:10.481 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_55\1\pdata\1
Wed May 08 09:26:10.497 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:26:10.512 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:26:10.528 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:26:10.543 CEST 2019: No HSQC data available
Wed May 08 09:26:10.559 CEST 2019: No C13 data available
Wed May 08 09:26:10.575 CEST 2019: No HMBC data available
Wed May 08 09:26:10.575 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:26:10.637 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:26:11.297 CEST 2019: Structure is used: true
Wed May 08 09:26:11.312 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_55/1/53.mol
Wed May 08 09:26:11.328 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.65 s.
Wed May 08 09:26:11.344 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:26:11.344 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:26:11.359 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:26:11.359 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:26:11.375 CEST 2019: Spectrum is suppressed.
Wed May 08 09:26:11.375 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 09:26:11.391 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:26:11.391 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:26:11.406 CEST 2019: Expected impurity: TSP
Wed May 08 09:26:11.422 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:26:11.422 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]
Wed May 08 09:26:11.437 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]
Wed May 08 09:26:11.437 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:26:11.453 CEST 2019: RMSD noise: 704.778 (-0.203/-0.703)
Wed May 08 09:26:11.453 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:26:11.469 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:26:11.469 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:26:11.515 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:26:11.672 CEST 2019: Number of Peaks: (40, 13)
Wed May 08 09:26:11.672 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 09:26:11.687 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:26:11.687 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:26:11.703 CEST 2019: Signal-to-Noise ratio: 1662.33 (3.497 ppm)
Wed May 08 09:26:11.703 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:26:11.719 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:26:11.719 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Wed May 08 09:26:11.750 CEST 2019: Number of Multiplets: 95
Wed May 08 09:26:11.781 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 09:26:11.859 CEST 2019: Number of Peak Cluster: 14
Wed May 08 09:26:11.859 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:26:12.015 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Wed May 08 09:26:12.303 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Wed May 08 09:26:12.318 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:26:12.318 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:26:12.334 CEST 2019: Number of consistent PNS: 4
Wed May 08 09:26:12.349 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:26:12.365 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:26:12.537 CEST 2019: Number of ASL: 18
Wed May 08 09:26:12.553 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.18 s.
Wed May 08 09:26:12.726 CEST 2019: Elapsed time for evaluation (IN Suite): 0.16 s.
Wed May 08 09:26:12.741 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:26:13.398 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.66 s.
Wed May 08 09:26:13.398 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:26:13.413 CEST 2019: CMC-q finished in 2.93 s.
