Mon Jul 04 16:19:45.100 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:19:45.103 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D1_OS_Plate011_D1\1\pdata\1
Mon Jul 04 16:19:45.110 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:19:45.114 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:19:45.117 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:19:45.149 CEST 2022: No HSQC data available
Mon Jul 04 16:19:45.161 CEST 2022: No C13 data available
Mon Jul 04 16:19:45.173 CEST 2022: No HMBC data available
Mon Jul 04 16:19:45.181 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:19:45.202 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:19:45.322 CEST 2022: Structure is used: true
Mon Jul 04 16:19:45.325 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D1_OS_Plate011_D1/1/D1_OS_Plate11_D1-85923564-d404-47d5-92ee-457d4d2c09c0.mol
Mon Jul 04 16:19:45.328 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:19:45.369 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:19:45.372 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.04 s.
Mon Jul 04 16:19:45.375 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:19:45.377 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:19:45.380 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:19:45.382 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:19:45.384 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:19:45.389 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:19:45.391 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:19:45.394 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:19:45.396 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:19:45.398 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 16:19:45.401 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:19:45.403 CEST 2022: RMSD noise: 31149727.123 (9.400/8.900)
Mon Jul 04 16:19:45.405 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:19:45.408 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:19:45.412 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:19:45.436 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:19:45.539 CEST 2022: Number of Peaks: (101, 20)
Mon Jul 04 16:19:45.542 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:19:45.545 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:19:45.574 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:19:45.577 CEST 2022: Signal-to-Noise ratio: 3618.07 (1.555 ppm)
Mon Jul 04 16:19:45.580 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:19:45.583 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:19:45.585 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:19:45.620 CEST 2022: Number of Multiplets: 187
Mon Jul 04 16:19:45.623 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:19:45.673 CEST 2022: Number of Peak Cluster: 25
Mon Jul 04 16:19:45.679 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:19:45.689 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:19:45.845 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:19:45.878 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:19:45.883 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:19:45.887 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:19:45.889 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:19:45.892 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:19:45.941 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon Jul 04 16:19:46.160 CEST 2022: Elapsed time for evaluation (IN Suite): 0.22 s.
Mon Jul 04 16:19:46.210 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:19:46.574 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:19:46.578 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:19:46.580 CEST 2022: CMC-q finished in 1.48 s.
