Mon Jul 04 16:32:43.108 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:32:43.111 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A10_OS_Plate02_A10\1\pdata\1
Mon Jul 04 16:32:43.118 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:32:43.122 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:32:43.125 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:32:43.218 CEST 2022: No HSQC data available
Mon Jul 04 16:32:43.230 CEST 2022: No C13 data available
Mon Jul 04 16:32:43.241 CEST 2022: No HMBC data available
Mon Jul 04 16:32:43.248 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:32:43.270 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:32:43.421 CEST 2022: Structure is used: true
Mon Jul 04 16:32:43.447 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A10_OS_Plate02_A10/1/A10_OS_Plate02_A10-9d245655-92c4-4ce5-8c06-b34a8a13ede1.mol
Mon Jul 04 16:32:43.450 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.18 s.
Mon Jul 04 16:32:43.461 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:32:43.463 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:32:43.466 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:32:43.469 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:32:43.471 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:32:43.474 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:32:43.476 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:32:43.481 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:32:43.483 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:32:43.487 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:32:43.489 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:32:43.492 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 16:32:43.494 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:32:43.496 CEST 2022: RMSD noise: 31556040.221 (10.217/9.717)
Mon Jul 04 16:32:43.499 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:32:43.502 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:32:43.506 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:32:43.529 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:32:43.612 CEST 2022: Number of Peaks: (70, 9)
Mon Jul 04 16:32:43.615 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:32:43.618 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:32:43.653 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:32:43.655 CEST 2022: Signal-to-Noise ratio: 3207.72 (3.721 ppm)
Mon Jul 04 16:32:43.658 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:32:43.661 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:43.663 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:32:43.700 CEST 2022: Number of Multiplets: 105
Mon Jul 04 16:32:43.703 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:32:43.761 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:32:43.766 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:32:43.775 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:32:43.921 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:32:43.939 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:32:43.943 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:32:43.948 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:32:43.950 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:32:43.953 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:32:43.976 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:32:44.064 CEST 2022: Elapsed time for evaluation (IN Suite): 0.08 s.
Mon Jul 04 16:32:44.125 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:32:44.486 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:32:44.489 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:44.492 CEST 2022: CMC-q finished in 1.38 s.
