Mon Jul 04 16:13:35.334 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:13:35.337 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A10_OS_Plate01_A10\1\pdata\1
Mon Jul 04 16:13:35.344 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:13:35.348 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:13:35.350 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:13:35.390 CEST 2022: No HSQC data available
Mon Jul 04 16:13:35.400 CEST 2022: No C13 data available
Mon Jul 04 16:13:35.410 CEST 2022: No HMBC data available
Mon Jul 04 16:13:35.417 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:13:35.438 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:13:35.522 CEST 2022: Structure is used: true
Mon Jul 04 16:13:35.525 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A10_OS_Plate01_A10/1/A10_OS_Plate1_A10-a06cc11e-5c14-439e-aa3c-514c7b94b48b.mol
Mon Jul 04 16:13:35.527 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:13:35.541 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:13:35.544 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:13:35.546 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:13:35.548 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:13:35.551 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:13:35.553 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:13:35.556 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:13:35.560 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:13:35.563 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:13:35.566 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:13:35.568 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:13:35.570 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 16:13:35.572 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:13:35.575 CEST 2022: RMSD noise: 30197606.184 (-2.860/-3.359)
Mon Jul 04 16:13:35.577 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:13:35.580 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:13:35.584 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:13:35.608 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:13:35.675 CEST 2022: Number of Peaks: (53, 11)
Mon Jul 04 16:13:35.678 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:13:35.680 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:13:35.780 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.10 s.
Mon Jul 04 16:13:35.783 CEST 2022: Signal-to-Noise ratio: 2186.38 (3.803 ppm)
Mon Jul 04 16:13:35.786 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:13:35.788 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:13:35.791 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:13:35.801 CEST 2022: Number of Multiplets: 69
Mon Jul 04 16:13:35.804 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:13:35.841 CEST 2022: Number of Peak Cluster: 24
Mon Jul 04 16:13:35.846 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:13:35.853 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:13:35.978 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:13:36.014 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:13:36.018 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:13:36.022 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:13:36.024 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:13:36.026 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:13:36.035 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:13:36.068 CEST 2022: Elapsed time for evaluation (IN Suite): 0.03 s.
Mon Jul 04 16:13:36.396 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:13:36.836 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon Jul 04 16:13:36.839 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:13:36.841 CEST 2022: CMC-q finished in 1.51 s.
