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AbelBp
3 Posts |
 Posted - 05/16/2024 : 2:43:02 PM
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Origin Ver. and Service Release (Select Help-->About Origin): OriginPro 2024 (64-bit) SR1
10.1.0.178 (Trial)
Operating System: Windows 10 64 bit
Do these Raman scan output files really belong to the same exact Raman scan?
What I have got:
- Two files from First Defender’s system named [Scan227-dark.spc]( https://drive.google.com/file/d/18sPT8i-Vu6sMvqxQbymAmqjmX3fGHg00/view?usp=sharing) and [Scan227.spc]( https://drive.google.com/file/d/1wEOjBA_hGC5604J3-XEcMW2Rf3XhMc7v/view?usp=sharing). Plain text versions of both files: [plaintextOfScan227-darkspc.txt]( https://drive.google.com/file/d/1tgm1Rl4ai6WadILCEI_IfBh5VWM1HYJb/view?usp=sharing) and [plaintextOfScan227spc.txt]( https://drive.google.com/file/d/1hbXauEIaDvI-tO9dAIgP6nSMRIdjDDlf/view).
- Image file called Session001-Scan227.jpg also from the same instrument.
- [Scan227.txt]( https://drive.google.com/file/d/1K4RhR9oU39UV90I16VAuGmk_6_S5lPnI/view) exported from that First Defender.
- Plotted graphs from both .spc files, named [GraphOfScan227.oggu]( https://drive.google.com/file/d/1uxm84WDfBd8QdEEj8er-27cNeL-y08kt/view?usp=sharing) and [GraphOfScan227dark.oggu]( https://drive.google.com/file/d/1hhFcqBK6vSEbkVNyBbGK-IcmNtlvAO-7/view?usp=sharing) – these have been created by my OriginPro, Version 2024 instance.
Also exported these graphs to .png image files:
Scan227darkExportedGraph.png
and
Scan227ExportedGraph.png
(Partially removed the “demo” words. I’ve got only evaluation license for OriginPro, planning to buy it…)
- Two pics, exported from two slides of a ppt presentation: BaselineCorrected1.png
and BaselineCorrected2.png
(I removed non-English commentary from the slides.)
Notes:
- The slides of the ppt presentation are not mine and currently I’m unable to contact the creator.
- On the original ppt slides of BaselineCorrected1.png BaselineCorrected2.png if I double click those embedded pics containing the red label “- Session001:Scan227 – matched TATP (tr…”, following message pops up: “The server application, source file, or item can’t be found, or returned an unknown error. You may need to reinstall the server application.”
- Opening with notepad the .spc files from the First Defender, you can read at the beginning: “Session001:Scan227 - matched TATP (triacetone triperoxide) (0.000000 single)?” Preview [plaintextOfScan227-darkspc.txt]( https://drive.google.com/file/d/1tgm1Rl4ai6WadILCEI_IfBh5VWM1HYJb/view?usp=sharing) and [plaintextOfScan227spc.txt]( https://drive.google.com/file/d/1hbXauEIaDvI-tO9dAIgP6nSMRIdjDDlf/view).
- I’ve been told that the black lines on these graphs on ppt slides – if the picture is containing the label “- Session001:Scan227 – matched TATP (tr…” - are the baseline corrected version of the red one, but I couldn’t get any information about the applied method, function, or computational way of that baseline correction.
Here are my questions:
1. Is it possible anyway, that the plots on the Scan227darkExportedGraph.png
and Scan227ExportedGraph.png correspond to the Session001-Scan227.jpg’s black line? I mean, if the actual scan is that black line, is it alright, that we see such (blue) graphs, after importing them to OriginPro, and making the plot? (For my eyes, they appear to be non-consistent in peak positions.)
2. If the first answer is yes, please describe to me, what is the computational relationship between them? How can I “infer” the blue graphs from that black plot in the jpg file, and vice versa (what is it? A baseline correction, peak fitting, signal processing or something like that?)? Or am I maybe completely misunderstanding the process, and overlooked a basic step?
3. Concerning the pictures from ppt slides: can I assume, that the red line plots on the graphs labeled “- Session001:Scan227 – matched TATP (tr…”, are gained from the above provided .spc files or is it false? Are these graphs created by OriginPro? Finally: How could I reproduce them? I’ve got ready the above linked two .spc files: what kind of operation on these files would conclude to the same shape and sight of graph, what we see on BaselineCorrected1.png and BaselineCorrected2.png. My reason for that is that I’d like to do myself that baseline correction, depicted on those ppt slides.
Please, I’d highly appreciate any helpful answer and comment from You!
Thanks a lot, in advance.
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Edited by - AbelBp on 05/16/2024 2:45:38 PM |
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snowli
USA
1379 Posts |
Posted - 05/16/2024 : 4:13:14 PM
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Hello,
If you drag and drop Scan227.spc to import it and then plot it to line graph.
Adjust x axis range to be from 275 to 2750, and click Rescale Y toolbar button (to rescale Y axis only). the it will look like the black line in PPT file.
See Graph1 in the attached opju
The creator of the PPT slides must did baseline subtraction for data in such x range.
Choose Analysis: Peaks and Baseline: Peak Analyzer
Choose Goal: Subtract Baseline
Click > button next to Input node at bottom of 1st page and choose Use X Scale Range.
Then set Baseline Mode, etc. to get the corrected data.
I am not exactly sure what method he used. I set Baseline Mode: User Defined.
Use the Auto find to find some baseline anchor points. Then uncheck Enable Auto Find and click Modify to drag red dots in graph to adjust baseline anchor points. Or you can click Add button and double click to add more anchor points, etc.
U can see this video about baseline subtraction https://www.youtube.com/watch?v=Y63431P_OkY&list=PLAH66v11YrfBU07ZRLHzAXVd5S5Ja1H4m&index=5
I plotted the scan227 and corrected one in graph2 of the attached opju
The PPT creator may used some better method to subtracted data. Maybe also smoothed the data so there are less noises, etc.
https://my.originlab.com/ftp/forum_and_kbase/Images/scan227.opju
Not sure which version was the origin graphs in PPT was made of. You may want to try right click your Origin and run as admin once.
Then close Origin. Double click the origin graph in PPT to see if you can launch Origin with the graph.
Then you can right click the plot in opened graph and choose Create worksheet context menu to generate the corresponding data.
Thanks, Snow
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AbelBp
3 Posts |
Posted - 05/17/2024 : 11:17:35 AM
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Thank You very much for the detailed, professional answer, snowli! I'm going to spend some time with it.
And thank you, who edited my post, particularly the pictures. |
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snowli
USA
1379 Posts |
Posted - 05/17/2024 : 11:40:33 AM
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It's me:-)
From last image in your original post, it's also possible that user has the "matched TATP" data, the smooth red curve in bottom panel.
Then user just did Analysis: Mathematics: Simple Curve Math... to subtract the "matched TATP" from Scan227 to get the red curve in top panel of last image. The legend name indicates it's a subtraction Scan227 - Matched TATP.
Thanks, Snow |
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AbelBp
3 Posts |
Posted - 05/18/2024 : 11:52:15 AM
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Unfortunately I wasn't successful with running as admin Origin. I'm still unable to open the embedded ppt.
Could I ask one more? How should I interpret the Scan227-dark? What is it supposed to be? Is it a baseline? If so, why are the values much higher than those in the Scan227.spc?
Thank You! |
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snowli
USA
1379 Posts |
Posted - 05/20/2024 : 11:47:35 AM
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I don't know what scan227-dark.spc is. You'd better check the instrument and what the data is for.
Thanks, Snow |
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Topic |
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Do these Raman scan output files really belong to