Mon Jul 04 16:33:14.336 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:33:14.339 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E11_OS_Plate02_E11\1\pdata\1
Mon Jul 04 16:33:14.347 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:33:14.351 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:33:14.354 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:33:14.383 CEST 2022: No HSQC data available
Mon Jul 04 16:33:14.399 CEST 2022: No C13 data available
Mon Jul 04 16:33:14.424 CEST 2022: No HMBC data available
Mon Jul 04 16:33:14.435 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:33:14.456 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:33:14.554 CEST 2022: Structure is used: true
Mon Jul 04 16:33:14.557 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E11_OS_Plate02_E11/1/E11_OS_Plate02_E11-cc2315f0-974c-4d06-90c5-4a24120f4699.mol
Mon Jul 04 16:33:14.560 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:33:14.572 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:33:14.574 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:33:14.578 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:33:14.581 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:33:14.583 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:33:14.586 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:33:14.588 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:33:14.593 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:33:14.596 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:33:14.599 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:33:14.602 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:33:14.604 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 16:33:14.606 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:33:14.609 CEST 2022: RMSD noise: 31056036.168 (11.034/10.534)
Mon Jul 04 16:33:14.611 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:33:14.614 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:33:14.619 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:33:14.643 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:33:14.759 CEST 2022: Number of Peaks: (96, 8)
Mon Jul 04 16:33:14.773 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:33:14.776 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:33:14.790 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:33:14.793 CEST 2022: Signal-to-Noise ratio: 1400.21 (8.851 ppm)
Mon Jul 04 16:33:14.796 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:33:14.798 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:33:14.801 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:33:14.829 CEST 2022: Number of Multiplets: 195
Mon Jul 04 16:33:14.832 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:33:14.886 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:33:14.892 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:33:14.909 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:33:15.044 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:33:15.064 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon Jul 04 16:33:15.070 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:33:15.074 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:33:15.076 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:33:15.080 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:33:15.239 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.16 s.
Mon Jul 04 16:33:15.411 CEST 2022: Elapsed time for evaluation (IN Suite): 0.16 s.
Mon Jul 04 16:33:15.478 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:33:15.852 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Mon Jul 04 16:33:15.855 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:33:15.857 CEST 2022: CMC-q finished in 1.52 s.
