Mon Jul 04 16:31:21.479 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:31:21.481 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F5_OS_Plate02_F5\1\pdata\1
Mon Jul 04 16:31:21.488 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:31:21.492 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:31:21.494 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:31:21.518 CEST 2022: No HSQC data available
Mon Jul 04 16:31:21.530 CEST 2022: No C13 data available
Mon Jul 04 16:31:21.541 CEST 2022: No HMBC data available
Mon Jul 04 16:31:21.548 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:31:21.570 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:31:21.703 CEST 2022: Structure is used: true
Mon Jul 04 16:31:21.706 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F5_OS_Plate02_F5/1/F5_OS_Plate02_F5-9114d988-7039-40eb-a450-5864c339d0e2.mol
Mon Jul 04 16:31:21.709 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:31:21.719 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:31:21.721 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:31:21.724 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:31:21.727 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:31:21.729 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:31:21.731 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:31:21.734 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:31:21.739 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:31:21.741 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:31:21.744 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:31:21.747 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:31:21.749 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 16:31:21.751 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:31:21.754 CEST 2022: RMSD noise: 31013023.260 (11.034/10.534)
Mon Jul 04 16:31:21.756 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:31:21.763 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:31:21.787 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:31:21.811 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:31:21.896 CEST 2022: Number of Peaks: (56, 31)
Mon Jul 04 16:31:21.899 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:31:21.902 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:31:21.945 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:31:21.948 CEST 2022: Signal-to-Noise ratio: 1167.51 (2.676 ppm)
Mon Jul 04 16:31:21.950 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:31:21.953 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:21.955 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:31:21.981 CEST 2022: Number of Multiplets: 98
Mon Jul 04 16:31:21.984 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:31:22.015 CEST 2022: Number of Peak Cluster: 16
Mon Jul 04 16:31:22.021 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.03 s.
Mon Jul 04 16:31:22.027 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:31:22.180 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:31:22.184 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:31:22.188 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:31:22.191 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:31:22.194 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:31:22.197 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:31:22.226 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:31:22.522 CEST 2022: Elapsed time for evaluation (IN Suite): 0.29 s.
Mon Jul 04 16:31:22.579 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:31:22.939 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:31:22.943 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:22.945 CEST 2022: CMC-q finished in 1.47 s.
