Mon Jul 04 16:30:26.904 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:30:26.907 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G3_OS_Plate02_G3\1\pdata\1
Mon Jul 04 16:30:26.914 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:30:26.918 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:30:26.921 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:30:26.951 CEST 2022: No HSQC data available
Mon Jul 04 16:30:26.962 CEST 2022: No C13 data available
Mon Jul 04 16:30:26.972 CEST 2022: No HMBC data available
Mon Jul 04 16:30:26.979 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:30:26.998 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:30:27.078 CEST 2022: Structure is used: true
Mon Jul 04 16:30:27.081 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G3_OS_Plate02_G3/1/G3_OS_Plate02_G3-da731924-dcdc-4e5d-8af1-1ce3c4e5841c.mol
Mon Jul 04 16:30:27.084 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:30:27.090 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:30:27.092 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:30:27.095 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:30:27.097 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:30:27.100 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:30:27.102 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:30:27.105 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:30:27.109 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:30:27.111 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:30:27.114 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:30:27.117 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:30:27.119 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 16:30:27.121 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:30:27.123 CEST 2022: RMSD noise: 31570469.697 (4.497/3.998)
Mon Jul 04 16:30:27.126 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:30:27.128 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:30:27.132 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:30:27.156 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:30:27.265 CEST 2022: Number of Peaks: (92, 7)
Mon Jul 04 16:30:27.288 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:30:27.291 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:30:27.298 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:30:27.301 CEST 2022: Signal-to-Noise ratio: 5440.82 (1.128 ppm)
Mon Jul 04 16:30:27.304 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:30:27.306 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:30:27.309 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:30:27.335 CEST 2022: Number of Multiplets: 141
Mon Jul 04 16:30:27.337 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:30:27.386 CEST 2022: Number of Peak Cluster: 25
Mon Jul 04 16:30:27.392 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:30:27.403 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:30:27.555 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:30:27.564 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:30:27.569 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:30:27.572 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:30:27.575 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:30:27.577 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:30:27.581 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:30:27.591 CEST 2022: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon Jul 04 16:30:27.641 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:30:27.997 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:30:28.000 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:30:28.002 CEST 2022: CMC-q finished in 1.10 s.
