Mon May 13 13:28:51.743 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:28:51.753 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_B05\1\pdata\1
Mon May 13 13:28:51.773 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:28:51.782 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:28:51.793 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:28:51.813 CEST 2019: No HSQC data available
Mon May 13 13:28:51.832 CEST 2019: No C13 data available
Mon May 13 13:28:51.853 CEST 2019: No HMBC data available
Mon May 13 13:28:51.863 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:28:51.913 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:28:52.383 CEST 2019: Structure is used: true
Mon May 13 13:28:52.413 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_B05/1/0110705836.mol
Mon May 13 13:28:52.424 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.50 s.
Mon May 13 13:28:52.433 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:28:52.443 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:28:52.453 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:28:52.464 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:28:52.473 CEST 2019: Spectrum is suppressed.
Mon May 13 13:28:52.483 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:28:52.483 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:28:52.493 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:28:52.513 CEST 2019: Expected impurity: TSP
Mon May 13 13:28:52.513 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:28:52.523 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 13:28:52.533 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 13:28:52.543 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:28:52.553 CEST 2019: RMSD noise: 688.120 (9.492/8.992)
Mon May 13 13:28:52.564 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:28:52.573 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:28:52.583 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:28:52.623 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:28:52.883 CEST 2019: Number of Peaks: (88, 23)
Mon May 13 13:28:52.893 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon May 13 13:28:52.904 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:28:52.913 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:28:52.913 CEST 2019: Signal-to-Noise ratio: 1978.98 (0.900 ppm)
Mon May 13 13:28:52.923 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:28:52.933 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:28:52.943 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Mon May 13 13:28:53.023 CEST 2019: Number of Multiplets: 179
Mon May 13 13:28:53.053 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.10 s.
Mon May 13 13:28:53.203 CEST 2019: Number of Peak Cluster: 27
Mon May 13 13:28:53.203 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon May 13 13:28:53.372 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Mon May 13 13:28:53.803 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Mon May 13 13:28:53.823 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:28:53.833 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 13:28:53.853 CEST 2019: Number of consistent PNS: 7
Mon May 13 13:28:53.864 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:28:53.883 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:28:53.998 CEST 2019: Number of ASL: 16
Mon May 13 13:28:54.013 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.12 s.
Mon May 13 13:28:54.503 CEST 2019: Elapsed time for evaluation (IN Suite): 0.48 s.
Mon May 13 13:28:54.523 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:28:54.533 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:28:55.183 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.67 s.
Mon May 13 13:28:55.183 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:28:55.193 CEST 2019: CMC-q finished in 3.45 s.
