Also, Tim reminds me that there is a related new button in v2.1. So in
the Peaks --> Peak Lists dialog in the Peak Lists tab there is a button at
the bottom right called Shift Whole Peak List, which allows a specific
peak list to be shifted by a certain ppm.
Wayne
On Wed, 30 Sep 2009, Wayne Boucher wrote:
> Hello,
>
> Tim says that the "Quick shift" messages are not significant (although
> worrying, I agree). And hopefully those will go away because hopefully I've
> fixed the original problem to do with the peak position (that was in some
> very old code so this must be a problem going back to v1.0.x for some small
> x). Patch on the update server for v2.1.
>
> Wayne
>
> On Tue, 29 Sep 2009, Tolga Helmbrecht wrote:
>
>> Hi,
>>
>> in order to move an imported peaklist onto the spectrum peaks I edited the
>> Experiments : Edit Spectra 'Reference ppm' value with first setting 'keep'
>> to
>> ppm and then to 'point' while changing the value back and came along the
>> error dialog box:
>>
>> Shifting peaks
>> ccp.nmr.Nmr.PeakDim.setPosition:
>> position constraint position_lt_dataDim_numPoints_plus_one violated by
>> value:
>>
>> with a value 226.7 on a spectrum with 224 points.
>>
>> In fact the imported peaklist contained peaks outside the spectral limits
>> which were now drawn as aliased. They are meaningless peak picking
>> artifacts
>> and the new spectrum is just cut (strip transform). Deleting these peaks
>> helped to get rid of the error but it would be better if the reference
>> function could handle the situation. The dangerous point is that it stops
>> moving the peaks somewhere in the middle of the action an starts throwing
>> Errors to the console instead:
>>
>> Warning: Quick shift index value failure list.remove(x): x not in list
>> many times after another and sometimes:
>>
>> Warning: Quick shift index value failure list.remove(x): x not in list
>> Warning: Quick shift index key failure -2
>> Warning: Quick shift index key failure -1
>> Warning: Quick shift index key failure 0
>> Warning: Quick shift index value failure list.remove(x): x not in list
>> ...
>> Warning: Quick shift index key failure 61
>> Warning: Quick shift index key failure 62
>>
>> This could ruin a peaklist if the user doesn't notice what happened,
>> because
>> the error dialog suggests it is just one problematic value.
>>
>> bye
>> Tolga
>>
>
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