Mon Jul 04 16:53:36.457 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:53:36.476 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C11_OS_Plate06_C11\1\pdata\1
Mon Jul 04 16:53:36.483 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:53:36.487 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:53:36.490 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:53:36.522 CEST 2022: No HSQC data available
Mon Jul 04 16:53:36.534 CEST 2022: No C13 data available
Mon Jul 04 16:53:36.545 CEST 2022: No HMBC data available
Mon Jul 04 16:53:36.552 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:53:36.572 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:53:36.650 CEST 2022: Structure is used: true
Mon Jul 04 16:53:36.653 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C11_OS_Plate06_C11/1/C11_OS_Plate06_C11-9e11b554-a6cd-4326-accf-473917a350b5.mol
Mon Jul 04 16:53:36.655 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:53:36.666 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:53:36.668 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:53:36.671 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:53:36.675 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:53:36.677 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:53:36.679 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:53:36.682 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:53:36.686 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:53:36.689 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:53:36.692 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:53:36.694 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:53:36.696 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 16:53:36.698 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:53:36.701 CEST 2022: RMSD noise: 28713253.817 (12.669/12.169)
Mon Jul 04 16:53:36.703 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:53:36.706 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:53:36.710 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:53:36.734 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:53:36.845 CEST 2022: Number of Peaks: (105, 14)
Mon Jul 04 16:53:36.862 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:53:36.864 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:53:36.880 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:53:36.882 CEST 2022: Signal-to-Noise ratio: 55794.03 (2.248 ppm)
Mon Jul 04 16:53:36.885 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:53:36.887 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:53:36.890 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:53:36.913 CEST 2022: Number of Multiplets: 153
Mon Jul 04 16:53:36.916 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:53:36.972 CEST 2022: Number of Peak Cluster: 33
Mon Jul 04 16:53:36.978 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:53:36.998 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:53:37.146 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:53:37.155 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:53:37.160 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:53:37.164 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:53:37.166 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:53:37.168 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:53:37.174 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:53:37.321 CEST 2022: Elapsed time for evaluation (IN Suite): 0.14 s.
Mon Jul 04 16:53:37.374 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:53:37.727 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:53:37.730 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:53:37.733 CEST 2022: CMC-q finished in 1.28 s.
