Alvaro,

OK attached is the new version of the software, it has an extra menu item under tools,

Tools Batch Crystallinity Index (14SP)

This is a batch function, which does the following,

1. Requests base values for the index

These values are approximately the positions of the two features for 1.4. I have only
given approximate values (which you can modify). This will depend a little on the data
you are using (PIMA, ASD) and any natural shifting in positions due to physio-chemical
variation.

Then you are asked to select the spectra you wish to process, you can select up to 1000+
spectra in a single go. The data is then written to an output text file as Comma Separated
Values (CSV) so you can easily import the data into EXCEL for further processing. The
text file will always be in the OUTPUT directory specified in your preferences and will
be called batchIndex1.txt.

The output file contains 6 fields,

core4.dat,1.384,1.416,26.15,37.48,0.302295
core2.dat,1.402,1.418,11.65,12.73,0.084839
core3.dat,1.384,1.416,12.1,18.91,0.360127

The file name, the first feature found, the second feature found, the depth of the first
feature, the depth of the second feature and the calculated index value.

The algorithm operates as follows.

1. The user selects the base values (in the dialog box shown above)
2. The spectra are selected.
3. The spectra are reduced to hull differences
4. The spectra are processed and the top twenty features are selected using a noise
threshold of zero. In other words all the significant features should be selected.
There is one problem area associated with this, in very noisy data the noise may
 be selected over the features and then you could have problems. I could allow a
separate noise threshold to be set for this operation if this is a real problem for
you.
5. The nearest extracted feature to the first base wavelength is selected and its depth
extracted.
6. The nearest extracted feature to the second base wavelength is selected and its
depth extracted.
7. The index is calculated as follows (nearest to base2 nearest to base 1) / nearest
to base 2.

Now apart from the possible noise problem of step 4, the only other problem may be the
selection of the base values. This you can play with a little and determine what you think
are the best default values. In this early index version the values you select are not saved
between runs. In a later version I will allow you to save this information so you dont
always have to type it in.

This is all I can do for now, but I will try and get the second version up and running for
you soon. There is currently no help information, only this document. Try it out on a few
spectra and compare it to your manual methods to verify its OK.

Good luck and tell me how it operates. I can always tweak it to make it better.

Steve.