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rxylib's Issues

Use no default column names when names are available

The plot method uses default plot settings, e.g. xlab = x [a.u.]".
However, it is possible to extract the column names provided by xylib. The code was implemented by me in commit 704f628, but the method has to be adjusted to use column names of the matrices provided in data_block, if there were any.

So, it would be a further enhancement to adjust the print method ...

XSYG - minor issues

Two issues, the XSYG-format support is not sufficient.

  1. The minimal example
<?xml version="1.0" encoding="utf-8"?>
<Sample>
  <Sequence>
    <Record>
      <Curve>0,25;212,450;251,60;371,60;0,25;212,450;251,60;371,60</Curve>
    </Record>
  </Sequence>
</Sample>

does not fail, but imports nothing. This should not happen.

  1. Correct typo: lexStuidoVersion should become lexStudioVersion (metadata information)

read_xyData possibly not working for xrdml?

Hi Developers

Thanks for an nice package that I enjoy using.

I have previously used the package for xrdml files from (Malvern)Panalytical instruments and the read_xyData function has always worked.
I have now updated R (R version 4.3.1) and the package (0.2.11) and now the function read_xyData does not seem to work for xrdml files.

Example from Reference manual. This works perfectly

file <- system.file("extdata/ExampleSpectrum.CNF", package = "rxylib")
file
results <- read_xyData(file)
results

Test with different file that was included in the package. This also works perfectly

file_2 <- system.file("extdata/TLSpectrum.xsyg", package = "rxylib")
file_2
results_2 <- read_xyData(file_2)
results_2

I added my own .xrdml file to the package directory and called it Xrdml_test.xrdml.

This is so that the test should be a close to the example as possible

file_1 <- system.file("extdata/Xrdml_test.xrdml", package = "rxylib")
file_1

The file seems to be readily detected and stored in the file_1 object

results_1 <- read_xyData(file_1)

When using the read_xyData function on .xrdml files, R throws an error:

#[read_xyData()] File of type PANalytical XRDML detected ...
#Error : [read_xyData()] Data import failed. Return NULL!

So it seems to detect the file correctly but will not import the data.

results_1

Could it be that the resent update resulted in the read_xyData function not working with xrdml files?

Thank you for your work.

Best regards

Add block names to output

In xylib it is possible to set names for blocks. Until now these names are not exported to R. I wrote a C++ function get_block_names.cpp to extract them from files (if available), see commit caf5906.

The question is: how to store them? In metadata? In an extra slot? Should the names be exported automatically or with an extra argument?

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