Mon Jul 04 16:32:39.289 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:32:39.291 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G9_OS_Plate02_G9\1\pdata\1
Mon Jul 04 16:32:39.299 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:32:39.303 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:32:39.306 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:32:39.321 CEST 2022: No HSQC data available
Mon Jul 04 16:32:39.331 CEST 2022: No C13 data available
Mon Jul 04 16:32:39.341 CEST 2022: No HMBC data available
Mon Jul 04 16:32:39.349 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:32:39.367 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:32:39.457 CEST 2022: Structure is used: true
Mon Jul 04 16:32:39.484 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G9_OS_Plate02_G9/1/G9_OS_Plate02_G9-d60047cb-a440-48e6-ac82-b08f9465ed53.mol
Mon Jul 04 16:32:39.487 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:32:39.493 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:32:39.496 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:32:39.499 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:32:39.501 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:32:39.504 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:32:39.506 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:32:39.508 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:32:39.513 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:32:39.516 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:32:39.519 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:32:39.521 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:32:39.524 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 16:32:39.527 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:32:39.529 CEST 2022: RMSD noise: 30562107.332 (-0.405/-0.905)
Mon Jul 04 16:32:39.531 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:32:39.534 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:32:39.538 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:32:39.562 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:32:39.626 CEST 2022: Number of Peaks: (46, 9)
Mon Jul 04 16:32:39.629 CEST 2022: Elapsed time for evaluation (PP Suite): 0.06 s.
Mon Jul 04 16:32:39.632 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:32:39.731 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.10 s.
Mon Jul 04 16:32:39.734 CEST 2022: Signal-to-Noise ratio: 3688.45 (2.159 ppm)
Mon Jul 04 16:32:39.737 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:32:39.740 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:39.742 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:32:39.753 CEST 2022: Number of Multiplets: 65
Mon Jul 04 16:32:39.755 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:32:39.790 CEST 2022: Number of Peak Cluster: 21
Mon Jul 04 16:32:39.796 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:32:39.803 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:32:39.921 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:32:39.930 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:32:39.934 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:32:39.937 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:32:39.940 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:32:39.944 CEST 2022: Number of consistent PNS: 20
Mon Jul 04 16:32:39.946 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:32:39.949 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:32:39.951 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:40.402 CEST 2022: Elapsed time for evaluation (BU Suite): 0.46 s.
Mon Jul 04 16:32:40.471 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:32:40.474 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:32:40.803 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:32:40.806 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:40.808 CEST 2022: CMC-q finished in 1.52 s.
