Mon May 13 13:56:27.889 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:56:27.889 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_A09\1\pdata\1
Mon May 13 13:56:27.909 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:56:27.919 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:56:27.929 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:56:27.949 CEST 2019: No HSQC data available
Mon May 13 13:56:27.969 CEST 2019: No C13 data available
Mon May 13 13:56:27.989 CEST 2019: No HMBC data available
Mon May 13 13:56:27.999 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:56:28.039 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:56:28.339 CEST 2019: Structure is used: true
Mon May 13 13:56:28.349 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_A09/1/0110706039.mol
Mon May 13 13:56:28.359 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.31 s.
Mon May 13 13:56:28.369 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:56:28.379 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:56:28.389 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:56:28.399 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:56:28.409 CEST 2019: Spectrum is suppressed.
Mon May 13 13:56:28.409 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:56:28.419 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:56:28.429 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:56:28.439 CEST 2019: Expected impurity: TSP
Mon May 13 13:56:28.449 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:56:28.459 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 13:56:28.469 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 13:56:28.479 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:56:28.479 CEST 2019: RMSD noise: 713.183 (5.250/4.751)
Mon May 13 13:56:28.489 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:56:28.499 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:56:28.509 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:56:28.549 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:56:28.709 CEST 2019: Number of Peaks: (47, 2)
Mon May 13 13:56:28.739 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:56:28.749 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:56:28.759 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:56:28.769 CEST 2019: Signal-to-Noise ratio: 4376.86 (2.828 ppm)
Mon May 13 13:56:28.779 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:56:28.789 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:56:28.789 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:56:28.839 CEST 2019: Number of Multiplets: 109
Mon May 13 13:56:28.849 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:56:28.919 CEST 2019: Number of Peak Cluster: 16
Mon May 13 13:56:28.929 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 13:56:29.049 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Mon May 13 13:56:29.369 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Mon May 13 13:56:29.379 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:56:29.389 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:56:29.399 CEST 2019: Number of consistent PNS: 2
Mon May 13 13:56:29.409 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:56:29.419 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:56:29.459 CEST 2019: Number of ASL: 6
Mon May 13 13:56:29.469 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon May 13 13:56:29.699 CEST 2019: Elapsed time for evaluation (IN Suite): 0.22 s.
Mon May 13 13:56:29.719 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:56:29.729 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:56:30.289 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.58 s.
Mon May 13 13:56:30.299 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:56:30.299 CEST 2019: CMC-q finished in 2.41 s.
