Wed May 08 16:00:05.014 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:00:05.029 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_A01\1\pdata\1
Wed May 08 16:00:05.061 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:00:05.076 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:00:05.076 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:00:05.139 CEST 2019: No HSQC data available
Wed May 08 16:00:05.201 CEST 2019: No C13 data available
Wed May 08 16:00:05.233 CEST 2019: No HMBC data available
Wed May 08 16:00:05.248 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:00:05.311 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:00:08.858 CEST 2019: Structure is used: true
Wed May 08 16:00:08.874 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_A01/1/A01.mol
Wed May 08 16:00:08.874 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 3.56 s.
Wed May 08 16:00:08.905 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:00:08.921 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:00:08.921 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:00:08.936 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:00:08.936 CEST 2019: Spectrum is suppressed.
Wed May 08 16:00:08.952 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 16:00:08.952 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:00:08.968 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:00:08.983 CEST 2019: Expected impurity: TSP
Wed May 08 16:00:08.999 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:00:08.999 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 16:00:09.015 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 16:00:09.015 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 16:00:09.030 CEST 2019: RMSD noise: 708.060 (8.886/8.386)
Wed May 08 16:00:09.046 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:00:09.046 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.01 s.
Wed May 08 16:00:09.077 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Wed May 08 16:00:09.124 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:00:09.327 CEST 2019: Number of Peaks: (23, 5)
Wed May 08 16:00:09.327 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 16:00:09.343 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:00:09.358 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Wed May 08 16:00:09.374 CEST 2019: Signal-to-Noise ratio: 470.70 (2.298 ppm)
Wed May 08 16:00:09.389 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:00:09.389 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:00:09.405 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Wed May 08 16:00:09.452 CEST 2019: Number of Multiplets: 43
Wed May 08 16:00:09.468 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 16:00:09.655 CEST 2019: Number of Peak Cluster: 13
Wed May 08 16:00:09.655 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.19 s.
Wed May 08 16:00:09.702 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 16:00:09.984 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Wed May 08 16:00:10.007 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:00:10.023 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:00:10.054 CEST 2019: Number of consistent PNS: 6
Wed May 08 16:00:10.070 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Wed May 08 16:00:10.086 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:00:20.059 CEST 2019: Number of ASL: 270
Wed May 08 16:00:20.059 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 9.98 s.
Wed May 08 16:00:20.404 CEST 2019: Elapsed time for evaluation (IN Suite): 0.33 s.
Wed May 08 16:00:20.424 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:00:20.439 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:00:21.266 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Wed May 08 16:00:21.282 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:00:21.282 CEST 2019: CMC-q finished in 16.27 s.