Mon Jul 04 16:31:43.695 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:31:43.697 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D6_OS_Plate02_D6\1\pdata\1
Mon Jul 04 16:31:43.704 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:31:43.708 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:31:43.711 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:31:43.737 CEST 2022: No HSQC data available
Mon Jul 04 16:31:43.747 CEST 2022: No C13 data available
Mon Jul 04 16:31:43.757 CEST 2022: No HMBC data available
Mon Jul 04 16:31:43.764 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:31:43.790 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:31:43.893 CEST 2022: Structure is used: true
Mon Jul 04 16:31:43.896 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D6_OS_Plate02_D6/1/D6_OS_Plate02_D6-698c6907-86bc-479b-bfd5-323b7dffbeb2.mol
Mon Jul 04 16:31:43.899 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:31:43.909 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:31:43.912 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:31:43.915 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:31:43.918 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:31:43.920 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:31:43.922 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:31:43.925 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:31:43.929 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:31:43.932 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:31:43.935 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:31:43.937 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:31:43.940 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 16:31:43.942 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:31:43.944 CEST 2022: RMSD noise: 30781787.198 (11.034/10.534)
Mon Jul 04 16:31:43.946 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:31:43.949 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:31:43.953 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:31:43.977 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:31:44.044 CEST 2022: Number of Peaks: (50, 9)
Mon Jul 04 16:31:44.047 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:31:44.050 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:31:44.096 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:31:44.126 CEST 2022: Signal-to-Noise ratio: 2522.76 (7.321 ppm)
Mon Jul 04 16:31:44.128 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:31:44.131 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:44.133 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:31:44.145 CEST 2022: Number of Multiplets: 70
Mon Jul 04 16:31:44.148 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:31:44.179 CEST 2022: Number of Peak Cluster: 18
Mon Jul 04 16:31:44.186 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:31:44.196 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:31:44.313 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:31:44.319 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:31:44.323 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:31:44.326 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:31:44.329 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:31:44.332 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:31:44.337 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:31:44.430 CEST 2022: Elapsed time for evaluation (IN Suite): 0.09 s.
Mon Jul 04 16:31:44.478 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:31:44.835 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:31:44.838 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:44.841 CEST 2022: CMC-q finished in 1.15 s.
