Mon Jul 04 16:12:09.388 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:12:09.390 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D7_OS_Plate01_D7\1\pdata\1
Mon Jul 04 16:12:09.398 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:12:09.402 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:12:09.405 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:12:09.442 CEST 2022: No HSQC data available
Mon Jul 04 16:12:09.452 CEST 2022: No C13 data available
Mon Jul 04 16:12:09.463 CEST 2022: No HMBC data available
Mon Jul 04 16:12:09.470 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:12:09.492 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:12:09.574 CEST 2022: Structure is used: true
Mon Jul 04 16:12:09.593 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D7_OS_Plate01_D7/1/D7_OS_Plate1_D7-64439fd2-c67a-40fe-a17e-4af757f425fd.mol
Mon Jul 04 16:12:09.595 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:12:09.606 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:12:09.609 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:12:09.612 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:12:09.614 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:12:09.616 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:12:09.619 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:12:09.621 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:12:09.626 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:12:09.628 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:12:09.631 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:12:09.634 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:12:09.636 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 16:12:09.638 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:12:09.641 CEST 2022: RMSD noise: 28659926.056 (12.669/12.169)
Mon Jul 04 16:12:09.643 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:12:09.646 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:12:09.650 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:12:09.674 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:12:09.746 CEST 2022: Number of Peaks: (55, 17)
Mon Jul 04 16:12:09.750 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:12:09.752 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:12:09.839 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.08 s.
Mon Jul 04 16:12:09.842 CEST 2022: Signal-to-Noise ratio: 1688.16 (8.017 ppm)
Mon Jul 04 16:12:09.845 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:12:09.847 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:12:09.849 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:12:09.862 CEST 2022: Number of Multiplets: 72
Mon Jul 04 16:12:09.864 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:12:09.899 CEST 2022: Number of Peak Cluster: 24
Mon Jul 04 16:12:09.905 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:12:09.916 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:12:10.031 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:12:10.046 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:12:10.061 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:12:10.064 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:12:10.067 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:12:10.069 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:12:10.094 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:12:10.153 CEST 2022: Elapsed time for evaluation (IN Suite): 0.06 s.
Mon Jul 04 16:12:10.223 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:12:10.572 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:12:10.575 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:12:10.578 CEST 2022: CMC-q finished in 1.19 s.
