Mon Jul 04 16:31:56.026 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:31:56.029 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D7_OS_Plate02_D7\1\pdata\1
Mon Jul 04 16:31:56.036 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:31:56.040 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:31:56.043 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:31:56.073 CEST 2022: No HSQC data available
Mon Jul 04 16:31:56.084 CEST 2022: No C13 data available
Mon Jul 04 16:31:56.095 CEST 2022: No HMBC data available
Mon Jul 04 16:31:56.103 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:31:56.124 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:31:56.221 CEST 2022: Structure is used: true
Mon Jul 04 16:31:56.224 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D7_OS_Plate02_D7/1/D7_OS_Plate02_D7-9e6431eb-75a2-42c6-b72c-ec4c900cb7f5.mol
Mon Jul 04 16:31:56.227 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:31:56.237 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:31:56.240 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:31:56.242 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:31:56.245 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:31:56.248 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:31:56.250 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:31:56.252 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:31:56.257 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:31:56.259 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:31:56.262 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:31:56.265 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:31:56.267 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 16:31:56.269 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:31:56.272 CEST 2022: RMSD noise: 29535554.473 (12.669/12.169)
Mon Jul 04 16:31:56.274 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:31:56.277 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:31:56.281 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:31:56.304 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:31:56.376 CEST 2022: Number of Peaks: (56, 11)
Mon Jul 04 16:31:56.379 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:31:56.381 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:31:56.425 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:31:56.427 CEST 2022: Signal-to-Noise ratio: 875.57 (3.529 ppm)
Mon Jul 04 16:31:56.430 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:31:56.432 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:56.435 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:31:56.446 CEST 2022: Number of Multiplets: 74
Mon Jul 04 16:31:56.449 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:31:56.486 CEST 2022: Number of Peak Cluster: 24
Mon Jul 04 16:31:56.492 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:31:56.499 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:31:56.619 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:31:56.647 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:31:56.652 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:31:56.655 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:31:56.657 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:31:56.660 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:31:56.667 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:31:56.988 CEST 2022: Elapsed time for evaluation (IN Suite): 0.32 s.
Mon Jul 04 16:31:57.038 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:31:57.041 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:31:57.402 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:31:57.405 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:57.408 CEST 2022: CMC-q finished in 1.38 s.
