Wed May 08 11:25:58.479 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:25:58.495 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_71\1\pdata\1
Wed May 08 11:25:58.511 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:25:58.526 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:25:58.542 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:25:58.589 CEST 2019: No HSQC data available
Wed May 08 11:25:58.636 CEST 2019: No C13 data available
Wed May 08 11:25:58.667 CEST 2019: No HMBC data available
Wed May 08 11:25:58.682 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:25:58.745 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:25:59.199 CEST 2019: Structure is used: true
Wed May 08 11:25:59.230 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_71/1/F11.mol
Wed May 08 11:25:59.246 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.49 s.
Wed May 08 11:25:59.283 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:25:59.298 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:25:59.298 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:25:59.314 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:25:59.329 CEST 2019: Spectrum is suppressed.
Wed May 08 11:25:59.329 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:25:59.345 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:25:59.361 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:25:59.376 CEST 2019: Expected impurity: TSP
Wed May 08 11:25:59.376 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:25:59.393 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 11:25:59.409 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 11:25:59.409 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:25:59.425 CEST 2019: RMSD noise: 707.419 (-0.203/-0.703)
Wed May 08 11:25:59.440 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:25:59.456 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:25:59.471 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:25:59.518 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Wed May 08 11:25:59.737 CEST 2019: Number of Peaks: (40, 1)
Wed May 08 11:25:59.753 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Wed May 08 11:25:59.768 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:25:59.784 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:25:59.800 CEST 2019: Signal-to-Noise ratio: 4695.14 (3.895 ppm)
Wed May 08 11:25:59.800 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:25:59.815 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:25:59.831 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.57 s.
Wed May 08 11:25:59.862 CEST 2019: Number of Multiplets: 65
Wed May 08 11:25:59.878 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 11:25:59.957 CEST 2019: Number of Peak Cluster: 16
Wed May 08 11:25:59.973 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 11:26:00.066 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Wed May 08 11:26:00.426 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Wed May 08 11:26:00.441 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:26:00.457 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:26:00.473 CEST 2019: Number of consistent PNS: 3
Wed May 08 11:26:00.488 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:26:00.504 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:26:00.519 CEST 2019: Number of ASL: 2
Wed May 08 11:26:00.535 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Wed May 08 11:26:00.551 CEST 2019: Elapsed time for evaluation (IN Suite): 0.01 s.
Wed May 08 11:26:00.601 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:26:00.617 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:26:01.400 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Wed May 08 11:26:01.431 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:26:01.447 CEST 2019: CMC-q finished in 2.97 s.
