[FIX] fix parameter estimation for edge cases

make sure that the parameter estimation array goes beyond the value 1.0 and
catch cases where no optimal solution can be found

git-svn-id: https://msproteomicstools.googlecode.com/svn/trunk@239 db641661-14cc-1e01-c2f8-e77ac6f8a696
[NOP] rename files in test folder

git-svn-id: https://msproteomicstools.googlecode.com/svn/trunk@240 db641661-14cc-1e01-c2f8-e77ac6f8a696
[FEATURE] add linear and interpolation transformation

- add a linear transformation
- add an interpolation transformation

git-svn-id: https://msproteomicstools.googlecode.com/svn/trunk@241 db641661-14cc-1e01-c2f8-e77ac6f8a696
[FEATURE] add the transformed data to output on disk

- also write the transformed data on disk, e.g. the timepoints in the
  transformed space

git-svn-id: https://msproteomicstools.googlecode.com/svn/trunk@242 db641661-14cc-1e01-c2f8-e77ac6f8a696
[FEATURE] add option to only consider a single run

git-svn-id: https://msproteomicstools.googlecode.com/svn/trunk@243 db641661-14cc-1e01-c2f8-e77ac6f8a696
cleanup spline aligner

git-svn-id: https://msproteomicstools.googlecode.com/svn/trunk@244 db641661-14cc-1e01-c2f8-e77ac6f8a696
small refactor

git-svn-id: https://msproteomicstools.googlecode.com/svn/trunk@245 db641661-14cc-1e01-c2f8-e77ac6f8a696