The copyright of Spectrino software is owned by its author Teodor Krastev. The source code of the Windows application part of Spectrino IS NOT for distribution.
For R users
The latest version of Spectrino R package is 2.0 which is compatible with any 2.* versions of Spectrino application (currently v2.3).
I have user report that Spectrino is not functional under R v4.3.0, the
highest R version Spectrino is still operational is 4.0.2.
I'm working on the issue.
The standard installation:
Alternative (manual) installation:
Uninstall Spectrino:
You can manually install version 1.6 of spectrino if you wish so, following the same procedure. The corresponding file are:
spectrino_1.6.0.tar.gz for Spectrino package; exec.zip for Spectrino application (v1.6)
see the paper about and R documentation of package Spectrino (v1.6)
For any other programming language user
If you would like to be informed about Spectrino update. You can do that from Help -> Check for updates in Spectrino app OR
follow the link and select Version Update from the About list.
Some ideas for the next version of Spectrino:
-- pre-processing features:
1. nonlinear baseline correction - automatic and semiautomatic;
2. wavelet based filter for noise removal;
3. curve fit based peak position extraction.
-- each tree has a list of names/types of selection fields (s.fields);
type is numeric or character.
These could be used to add a dimensionality GC/LC-MS or MS/MS or
specific experimental conditions.
Set the field list
1. From the option panel
2. From spnSetPPOpt('Normalize=1,MeanExtract=1,LowLimit=60,Fields={"g":0,
"t":""}')
The list of fields is defined in options and is common for a tree - for
both - groups and specs
Various commands (from R or COM) to set and get the fields for each
particular spec or group.
A command to select (check) specs complaining selection criteria using
the specs fields
or another to return a list of groups by selection.
Selection by numeric field is <low>:<high>
if low or high (or both) is missing -/+infinity is assumed.
Selection by string field is using regular expressions to extract a
subset.
For more sophistication selection, all the spec fields from a group or
tree can by extracted in R (or COM)
and there apply the complicated logic you need.
For any ideas from your part, comments or bug report go HERE.