Wed May 08 10:47:20.260 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:47:20.275 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_28\1\pdata\1
Wed May 08 10:47:20.307 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:47:20.322 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:47:20.338 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:47:20.385 CEST 2019: No HSQC data available
Wed May 08 10:47:20.432 CEST 2019: No C13 data available
Wed May 08 10:47:20.480 CEST 2019: No HMBC data available
Wed May 08 10:47:20.480 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:47:20.560 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 10:47:21.313 CEST 2019: Structure is used: true
Wed May 08 10:47:21.360 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_28/1/C04.mol
Wed May 08 10:47:21.360 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.80 s.
Wed May 08 10:47:21.391 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.02 s.
Wed May 08 10:47:21.407 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:47:21.407 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:47:21.422 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:47:21.438 CEST 2019: Spectrum is suppressed.
Wed May 08 10:47:21.438 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:47:21.453 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:47:21.453 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:47:21.469 CEST 2019: Expected impurity: TSP
Wed May 08 10:47:21.485 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:47:21.485 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 10:47:21.500 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 10:47:21.516 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:47:21.516 CEST 2019: RMSD noise: 708.691 (7.068/6.569)
Wed May 08 10:47:21.532 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:47:21.547 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:47:21.563 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Wed May 08 10:47:21.627 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:47:21.832 CEST 2019: Number of Peaks: (42, 12)
Wed May 08 10:47:21.847 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Wed May 08 10:47:21.863 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:47:21.863 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:47:21.879 CEST 2019: Signal-to-Noise ratio: 3557.13 (2.111 ppm)
Wed May 08 10:47:21.896 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:47:21.896 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:47:21.911 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Wed May 08 10:47:21.974 CEST 2019: Number of Multiplets: 85
Wed May 08 10:47:21.974 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 10:47:22.089 CEST 2019: Number of Peak Cluster: 16
Wed May 08 10:47:22.105 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 10:47:22.183 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 10:47:22.559 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Wed May 08 10:47:22.575 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 10:47:22.595 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:47:22.611 CEST 2019: Number of consistent PNS: 2
Wed May 08 10:47:22.627 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:47:22.642 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 10:47:22.674 CEST 2019: Number of ASL: 4
Wed May 08 10:47:22.689 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Wed May 08 10:47:23.431 CEST 2019: Elapsed time for evaluation (IN Suite): 0.73 s.
Wed May 08 10:47:23.466 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:47:23.466 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:47:24.309 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 10:47:24.309 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:47:24.324 CEST 2019: CMC-q finished in 4.06 s.
