Mon Jul 04 16:49:59.362 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:49:59.364 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G11_OS_Plate05_G11\1\pdata\1
Mon Jul 04 16:49:59.372 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:49:59.376 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:49:59.379 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:49:59.412 CEST 2022: No HSQC data available
Mon Jul 04 16:49:59.425 CEST 2022: No C13 data available
Mon Jul 04 16:49:59.437 CEST 2022: No HMBC data available
Mon Jul 04 16:49:59.444 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:49:59.468 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:49:59.614 CEST 2022: Structure is used: true
Mon Jul 04 16:49:59.637 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G11_OS_Plate05_G11/1/11_OS_Plate05_G11.mol
Mon Jul 04 16:49:59.639 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.17 s.
Mon Jul 04 16:49:59.650 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:49:59.653 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:49:59.656 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:49:59.658 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:49:59.660 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:49:59.663 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:49:59.665 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:49:59.670 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:49:59.672 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:49:59.675 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:49:59.677 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:49:59.680 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 16:49:59.682 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:49:59.685 CEST 2022: RMSD noise: 28421562.841 (-2.860/-3.360)
Mon Jul 04 16:49:59.688 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:49:59.691 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:49:59.695 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:49:59.721 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:49:59.838 CEST 2022: Number of Peaks: (100, 20)
Mon Jul 04 16:49:59.842 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:49:59.844 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:49:59.861 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:49:59.864 CEST 2022: Signal-to-Noise ratio: 4965.45 (2.249 ppm)
Mon Jul 04 16:49:59.866 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:49:59.869 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:49:59.872 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:49:59.893 CEST 2022: Number of Multiplets: 128
Mon Jul 04 16:49:59.896 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:50:00.127 CEST 2022: Number of Peak Cluster: 37
Mon Jul 04 16:50:00.135 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.24 s.
Mon Jul 04 16:50:00.147 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:50:00.290 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:50:00.297 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:50:00.303 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:00.308 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:50:00.311 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:00.313 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:00.357 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:50:00.556 CEST 2022: Elapsed time for evaluation (IN Suite): 0.18 s.
Mon Jul 04 16:50:00.608 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:50:00.611 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:50:00.977 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:50:00.981 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:00.984 CEST 2022: CMC-q finished in 1.62 s.
