Wed May 08 09:27:53.969 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:27:53.969 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_62\1\pdata\1
Wed May 08 09:27:53.984 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:27:54.000 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:27:54.015 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:27:54.031 CEST 2019: No HSQC data available
Wed May 08 09:27:54.047 CEST 2019: No C13 data available
Wed May 08 09:27:54.062 CEST 2019: No HMBC data available
Wed May 08 09:27:54.078 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:27:54.109 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:27:54.424 CEST 2019: Structure is used: true
Wed May 08 09:27:54.456 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_62/1/14.mol
Wed May 08 09:27:54.471 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.34 s.
Wed May 08 09:27:54.487 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:27:54.487 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:27:54.502 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:27:54.502 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:27:54.518 CEST 2019: Spectrum is suppressed.
Wed May 08 09:27:54.518 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:27:54.534 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:27:54.534 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:27:54.549 CEST 2019: Expected impurity: TSP
Wed May 08 09:27:54.565 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:27:54.565 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 09:27:54.581 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 09:27:54.596 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 09:27:54.596 CEST 2019: RMSD noise: 674.131 (10.704/10.204)
Wed May 08 09:27:54.612 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:27:54.612 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:27:54.627 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:27:54.659 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:27:54.801 CEST 2019: Number of Peaks: (32, 12)
Wed May 08 09:27:54.824 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 09:27:54.824 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:27:54.839 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:27:54.855 CEST 2019: Signal-to-Noise ratio: 572.46 (1.316 ppm)
Wed May 08 09:27:54.855 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:27:54.871 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:27:54.871 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Wed May 08 09:27:54.902 CEST 2019: Number of Multiplets: 61
Wed May 08 09:27:54.902 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:27:54.964 CEST 2019: Number of Peak Cluster: 13
Wed May 08 09:27:54.980 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:27:55.027 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 09:27:55.339 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Wed May 08 09:27:55.355 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:27:55.355 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:27:55.386 CEST 2019: Number of consistent PNS: 5
Wed May 08 09:27:55.402 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 09:27:55.402 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:27:55.511 CEST 2019: Number of ASL: 96
Wed May 08 09:27:55.527 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.11 s.
Wed May 08 09:27:55.917 CEST 2019: Elapsed time for evaluation (IN Suite): 0.38 s.
Wed May 08 09:27:55.933 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:27:55.948 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:27:56.573 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.65 s.
Wed May 08 09:27:56.573 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:27:56.589 CEST 2019: CMC-q finished in 2.62 s.
