Mon May 13 13:57:03.889 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:57:03.899 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_A12\1\pdata\1
Mon May 13 13:57:03.919 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:57:03.929 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:57:03.939 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:57:03.964 CEST 2019: No HSQC data available
Mon May 13 13:57:03.984 CEST 2019: No C13 data available
Mon May 13 13:57:04.009 CEST 2019: No HMBC data available
Mon May 13 13:57:04.019 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:57:04.064 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:57:04.444 CEST 2019: Structure is used: true
Mon May 13 13:57:04.489 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_A12/1/0110706036.mol
Mon May 13 13:57:04.496 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.42 s.
Mon May 13 13:57:04.515 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:57:04.525 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:57:04.529 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:57:04.539 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:57:04.549 CEST 2019: Spectrum is suppressed.
Mon May 13 13:57:04.559 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:57:04.569 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:57:04.578 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:57:04.589 CEST 2019: Expected impurity: TSP
Mon May 13 13:57:04.599 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:57:04.609 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 13:57:04.619 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 13:57:04.619 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:57:04.629 CEST 2019: RMSD noise: 650.614 (10.704/10.204)
Mon May 13 13:57:04.644 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:57:04.659 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:57:04.669 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:57:04.709 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:57:04.889 CEST 2019: Number of Peaks: (49, 13)
Mon May 13 13:57:04.899 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Mon May 13 13:57:04.909 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:57:04.919 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:57:04.929 CEST 2019: Signal-to-Noise ratio: 4098.64 (2.085 ppm)
Mon May 13 13:57:04.939 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:57:04.939 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:57:04.949 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon May 13 13:57:04.999 CEST 2019: Number of Multiplets: 101
Mon May 13 13:57:05.029 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 13 13:57:05.114 CEST 2019: Number of Peak Cluster: 17
Mon May 13 13:57:05.119 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 13:57:05.279 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Mon May 13 13:57:05.569 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon May 13 13:57:05.579 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:57:05.589 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:57:05.599 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:57:05.614 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:57:05.619 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:57:05.829 CEST 2019: Number of ASL: 96
Mon May 13 13:57:05.839 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.20 s.
Mon May 13 13:57:06.184 CEST 2019: Elapsed time for evaluation (IN Suite): 0.34 s.
Mon May 13 13:57:06.214 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:57:06.219 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:57:06.830 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Mon May 13 13:57:06.839 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:57:06.839 CEST 2019: CMC-q finished in 2.95 s.
