Added integration windows lack filename when exported

lstockli

Hello,

I recently upgraded to Iolite4. We do a lot of depth profiling, and often add integration widows so that each integration might have 2 or more windows (sometimes as many as 10). However, the exported data for these added windows have a blank data filename, such as this:

AR616-2_59.FIN2 54:00.7
AR616-2_60.FIN2 55:37.3
59:38.4
AR616-2_61.FIN2 59:55.4
AR616-2_62.FIN2 01:12.0

Currently I have to check through the entire sequence in Iolite and manually put in the filenames. A simple formula to copy the name from above or below won't work because sometimes the missing name is actually a second window that I added to the sample above, and sometimes a first window added to the sample below. Possibly some kind of calculation based on the time of analysis could be employed, but it would be very nice to just have the data filenames included in the exported data. Is there a way to do that?

thank you,
Lisa

Joe

lstockli

If I understand what is happening, the original selections are made from sample metadata and their name is derived from that, but newly created selections aren't associated with the metadata so do not have a name to reflect the file it originated from.

For new sessions, if you want to keep the names of the original selections created from the metadata you could:

Shrink a selection, and then with it still active
Right click it and select copy selection and put it in the same group
Adjust that selection's duration and position
This new selection will keep the same name as the first one created from the metadata so will still reflect the source file.

For existing sessions, you could use a script to automate renaming selections based on their overlap with file metadata. Something like:

group_name = 'MyGroupName'
group = data.selectionGroup(group_name)

for sel in group.selections():
	for file in data.importedFiles():
		if sel.startTime >= file.startTime() and sel.endTime <= file.endTime():
			sel.name = file.fileName().split('/')[-1]
			break

All the best,

lstockli

Thank you Joe. Copying and pasting integrations does result in the filename being exported with the data, but this is cumbersome and really won't work for our purposes because sometimes we break a 30 second window into 10 three second windows.

I was not able to get your piece of code to run:
RuntimeError: std::runtime_error: [DataManager::selectionGroup] requested group 'MyGroupName' doesn't exist

Should it be a short script to run on its own, or pasted into my Export script?

thank you very much,
Lisa

Joe

lstockli

You can run it from the python workspace. You will need to change MyGroupName to whatever the name of the group that you want to apply this to is. Or, if you want to apply it to all groups, you could do something like:

for group in data.selectionGroupList(data.Sample | data.ReferenceMaterial):
    for sel in group.selections():
        for file in data.importedFiles():
            if sel.startTime >= file.startTime() and sel.endTime <= file.endTime():
                sel.name = file.fileName().split('/')[-1]
                break

lstockli

Ahh! This new code seems to do the trick. Thank you very much Joe.

Lisa