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hamung
United Kingdom
1 Posts |
 Posted - 04/03/2014 : 12:24:43 PM
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| Can someone help me using Origin 9.1. I have XRD data but don't know how to add a baseline and calculate the degree of crystallinity. |
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lkb0221
China
497 Posts |
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cdrozdowski111
USA
247 Posts |
Posted - 04/03/2014 : 6:38:35 PM
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@Zheng,
It's X-Ray Defraction, either single crystal or powder. It is a method (based on an instrument) used in crystallography to help elucidate the molecular structure of a chemical species. The data is typically XY and graphs consist of many sharp peaks of varying height sometimes with a somewhat noisy background. Lots of folks like to subtract out the noise to make the peaks more clear when publishing their data.There are functions that crystallographers apply to the data that help them determine the structure. Also the data can be compared against databases of known structures as a means to determine the exact nature of the species.
Ironically, I have two papers I can't get published because I don't have access to an instrument :(
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lkb0221
China
497 Posts |
Posted - 04/04/2014 : 10:44:30 AM
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Hi,
So it's basically a peak analysis process, with baseline subtraction, right?
Origin has very powerful (and a little complicated, of cause) Peak Analyzer tool, please see the following page for the details:
http://www.originlab.com/doc/Origin-Help/PeakAnalyzer
So after peak analysis, you will have a list of peaks in this XY dataset, with detailed properties. I don't know how to calculate crystallinity from there but I think you are much more professional than me in this. If you need help, please offer detailed calculation steps and data source and I can make a analysis template for you for later use.
To compare structure might need scripts, for that is hard to have a general solution unless a special tool for this specified area.
Zheng
OriginLab |
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Ravikumar1981
India
2 Posts |
Posted - 01/28/2015 : 05:04:12 AM
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It is simple and accurate to calculate degree of crystallinity using Origin software. All you need to do is multiple peak fitting two different components in your XRD pattern (i.e amorphous = broad peaks and crystalline = sharp peaks). Peak fitting would yield you corresponding integrated areas. Degree of crystallinity is defined as ratio of integrated area of amorphous peak to sum integrated area of amorphous peak and crystalline peaks.
I am not sure whether I have a permission to post step-by-step procedure for degree of crystallinity calculation using origin lab in this forum. If they permit me I can post this application.
Cheers
Ravi |
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GoubK
Netherlands
1 Posts |
Posted - 07/17/2015 : 06:52:41 AM
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Dear Ravikumar1981,
Could you post step-by-step procedure for degree of crystallinity calculation using origin lab in this forum. It would be of great help
to me.
Regards,
Kees (Goubk) |
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labisio2000@yahoo.co.uk
Nigeria
1 Posts |
Posted - 02/02/2016 : 12:22:15 PM
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Dear Ravikumar1981,
I am new to Origin lab.I wish to determine relative crystallinity of my starch powder sample. Could you post step-by-step procedure for degree of crystallinity calculation using origin lab. It would be of utmost assistance to my research studies.
Ola |
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sahifah
Malaysia
1 Posts |
Posted - 02/09/2016 : 01:36:17 AM
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Dear ravikumar
please send me to the step by step sahifahfkm@gmail.com |
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Leonardoso
1 Posts |
Posted - 06/24/2016 : 12:42:05 AM
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Dear Ravikumar1981,
Could you send step-by-step procedure for degree of crystallinity calculation to me?
leo.official.mail@gmail.com
Regards,
leonardo. |
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kyo_original
Brazil
1 Posts |
Posted - 01/27/2018 : 11:56:29 AM
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Dear Ravikumar1981,
Could you send step-by-step procedure for degree of crystallinity calculation to me? E-mail: cristiano.farias@gmail.com
Regards,
Cristiano |
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Alisa_LGO
4 Posts |
Posted - 01/27/2018 : 12:53:23 PM
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You can do baseline correction manually.
Build the graph. Then --> analysis --> peaks and baseline --> peak analyser --> open dialog.
Then choose:
create base line --> next --> (here you can choose parameters for the baseline you will create: number of points, method... I prefer to use around 5-6 points, and 2nd derivative method to process IR data) --> next --> (here i prefer to choose spline or B-spline which are working well for IR baseline corrections, but I think for XRD it would be better to keep line. Press "modify/del" and now you can modify the baseline for the diffractogram as you like) --> done --> finish.
There is appear 2 new columns. 1st one is your initial baseline. Second one is corrections. Create a new column and make a subtraction (ctrl + Q) 1st column - 2nd column. This is your new baseline.
Change the column value to X and enjoy! |
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Cometsquare
USA
1 Posts |
Posted - 11/24/2020 : 3:50:22 PM
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Dear Ravikumar1981,
Could you send me a copy of step-by-step procedure for degree of crystallinity calculation? chliu@udel.edu Thanks a lot! quote:
Originally posted by Ravikumar1981
It is simple and accurate to calculate degree of crystallinity using Origin software. All you need to do is multiple peak fitting two different components in your XRD pattern (i.e amorphous = broad peaks and crystalline = sharp peaks). Peak fitting would yield you corresponding integrated areas. Degree of crystallinity is defined as ratio of integrated area of amorphous peak to sum integrated area of amorphous peak and crystalline peaks.
I am not sure whether I have a permission to post step-by-step procedure for degree of crystallinity calculation using origin lab in this forum. If they permit me I can post this application.
Cheers
Ravi
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Pop Alexandra
Romania
1 Posts |
Posted - 10/20/2021 : 07:26:18 AM
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quote:
Originally posted by Cometsquare
Dear Ravikumar1981,
Could you send me a copy of step-by-step procedure for degree of crystallinity calculation? chliu@udel.edu Thanks a lot! quote:
Originally posted by Ravikumar1981
It is simple and accurate to calculate degree of crystallinity using Origin software. All you need to do is multiple peak fitting two different components in your XRD pattern (i.e amorphous = broad peaks and crystalline = sharp peaks). Peak fitting would yield you corresponding integrated areas. Degree of crystallinity is defined as ratio of integrated area of amorphous peak to sum integrated area of amorphous peak and crystalline peaks.
I am not sure whether I have a permission to post step-by-step procedure for degree of crystallinity calculation using origin lab in this forum. If they permit me I can post this application.
Cheers
Ravi
quote:
Originally posted by Cometsquare
Dear Ravikumar1981,
Could you send me a copy of step-by-step procedure for degree of crystallinity calculation? chliu@udel.edu Thanks a lot!
I'd also be interested if you could send it as a PM.
Thanks in advance!
https://cianalytics.com/application/total-sulfur |
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Topic |
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XRD