Does your XEASY param file look like:
Version ....................... 1
Number of dimensions .......... 3
16 or 8 bit file type ......... 16
Spectrometer frequency in w1 .. 125.7578
Spectrometer frequency in w2 .. 50.6777
Spectrometer frequency in w3 .. 500.1300
Spectral sweep width in w1 .... 30.0017
Spectral sweep width in w2 .... 13.0021
Spectral sweep width in w3 .... 6.4918
Maximum chemical shift in w1 .. 134.0009
Maximum chemical shift in w2 .. 180.0010
Maximum chemical shift in w3 .. 11.1898
Size of spectrum in w1 ........ 128
Size of spectrum in w2 ........ 256
Size of spectrum in w3 ........ 512
Submatrix size in w1 .......... 32
Submatrix size in w2 .......... 32
Submatrix size in w3 .......... 64
Permutation for w1 ............ 3
Permutation for w2 ............ 2
Permutation for w3 ............ 1
Folding in w1 ................. RSH
Folding in w2 ................. RSH
Folding in w3 ................. RSH
Type of spectrum .............. HNCO
Identifier for dimension w1 ... N15
Identifier for dimension w2 ... N15
Identifier for dimension w3 ... H1
That is the kind of file I was assuming XEASY parameter files looked like,
but it was from a sample of only a couple. Does your file not have the
equivalent of the last three lines?
Wayne
On Mon, 26 Mar 2012, Marielle Waelti wrote:
> Hello Wayne,
>
> Thanks a lot for you quick answer. But somehow it still does not work. I get always the following error message:
> KeyError: 'Identifier for dimension w1'
>
> Do you have any idea what this could mean??
>
> Thanks,
> Marielle
>
> The whole text:
> Model read finished. Duration 0.745584964752
> Model validity check skipped
> Traceback (most recent call last):
> File "/Applications/ccpnmr/ccpnmr2.2/python/ccp/format/spectra/params/XeasyData.py", line 127, in <module>
> convertXeasyToAzara(xeasyParamFile, azaraDataFile, azaraParFile)
> File "/Applications/ccpnmr/ccpnmr2.2/python/ccp/format/spectra/params/XeasyData.py", line 89, in convertXeasyToAzara
> xeasyParams = XeasyParams(xeasyParamFile)
> File "/Applications/ccpnmr/ccpnmr2.2/python/ccp/format/spectra/params/XeasyParams.py", line 73, in __init__
> ExternalParams.__init__(self, **kw)
> File "/Applications/ccpnmr/ccpnmr2.2/python/ccp/format/spectra/params/ExternalParams.py", line 103, in __init__
> self.makeNewParams()
> File "/Applications/ccpnmr/ccpnmr2.2/python/ccp/format/spectra/params/ExternalParams.py", line 170, in makeNewParams
> self.parseFile()
> File "/Applications/ccpnmr/ccpnmr2.2/python/ccp/format/spectra/params/XeasyParams.py", line 116, in parseFile
> nuc = dd[XeasyParamDict['nuc']+ss]
> KeyError: 'Identifier for dimension w1'
>
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