How to plot XRD data as 3D plot?
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I have a series of XRD diffractograms from a single sample, at different depths. I want to plot the spectra as a 3D line plot, as seen as below:

(From https://link.springer.com/article/10.1016%2FS1672-6529%2806%2960003-6)
I use the following code to view my XRD data in Matlab:
data = importdata('example_data.dat') ; % load the data from text file
semilogy(data(:,1),data(:,2)) ; % plot the data
How do I go from here?
TIA
採用された回答
Star Strider
2021 年 9 月 7 日
編集済み: Star Strider
2021 年 9 月 7 日
When I click on the link, I get a ‘DOI Not Found’ error. (EDIT — The new link is to an article behind a paywall, so I do not have access to it.)
That problem aside, if the data are in a matrix, it is likely possible just use surf to plot the matrix. The axis tick labels might need to be added manually in separate statements, however this is not difficult.
If you want to upload / attach the .XRD file, it would be necessary to put it into a .zip file first. Any information you have on its contents and format would be helpful, since I dioubt many here are familiar with that format (I am not, since .dat files can contain anything).
The complete matrix, with the values imported and plotted —
Uz = unzip('Plot3D[1].zip')
Uz = 1×103 cell array
{'Plot3D/569965_0-0.dat'} {'Plot3D/569965_0-1.dat'} {'Plot3D/569965_0-10.dat'} {'Plot3D/569965_0-100.dat'} {'Plot3D/569965_0-101.dat'} {'Plot3D/569965_0-102.dat'} {'Plot3D/569965_0-11.dat'} {'Plot3D/569965_0-12.dat'} {'Plot3D/569965_0-13.dat'} {'Plot3D/569965_0-14.dat'} {'Plot3D/569965_0-15.dat'} {'Plot3D/569965_0-16.dat'} {'Plot3D/569965_0-17.dat'} {'Plot3D/569965_0-18.dat'} {'Plot3D/569965_0-19.dat'} {'Plot3D/569965_0-2.dat'} {'Plot3D/569965_0-20.dat'} {'Plot3D/569965_0-21.dat'} {'Plot3D/569965_0-22.dat'} {'Plot3D/569965_0-23.dat'} {'Plot3D/569965_0-24.dat'} {'Plot3D/569965_0-25.dat'} {'Plot3D/569965_0-26.dat'} {'Plot3D/569965_0-27.dat'} {'Plot3D/569965_0-28.dat'} {'Plot3D/569965_0-29.dat'} {'Plot3D/569965_0-3.dat'} {'Plot3D/569965_0-30.dat'} {'Plot3D/569965_0-31.dat'} {'Plot3D/569965_0-32.dat'} {'Plot3D/569965_0-33.dat'} {'Plot3D/569965_0-34.dat'} {'Plot3D/569965_0-35.dat'} {'Plot3D/569965_0-36.dat'} {'Plot3D/569965_0-37.dat'} {'Plot3D/569965_0-38.dat'} {'Plot3D/569965_0-39.dat'} {'Plot3D/569965_0-4.dat'} {'Plot3D/569965_0-40.dat'} {'Plot3D/569965_0-41.dat'} {'Plot3D/569965_0-42.dat'} {'Plot3D/569965_0-43.dat'} {'Plot3D/569965_0-44.dat'} {'Plot3D/569965_0-45.dat'} {'Plot3D/569965_0-46.dat'} {'Plot3D/569965_0-47.dat'} {'Plot3D/569965_0-48.dat'} {'Plot3D/569965_0-49.dat'} {'Plot3D/569965_0-5.dat'} {'Plot3D/569965_0-50.dat'} {'Plot3D/569965_0-51.dat'} {'Plot3D/569965_0-52.dat'} {'Plot3D/569965_0-53.dat'} {'Plot3D/569965_0-54.dat'} {'Plot3D/569965_0-55.dat'} {'Plot3D/569965_0-56.dat'} {'Plot3D/569965_0-57.dat'} {'Plot3D/569965_0-58.dat'} {'Plot3D/569965_0-59.dat'} {'Plot3D/569965_0-6.dat'} {'Plot3D/569965_0-60.dat'} {'Plot3D/569965_0-61.dat'} {'Plot3D/569965_0-62.dat'} {'Plot3D/569965_0-63.dat'} {'Plot3D/569965_0-64.dat'} {'Plot3D/569965_0-65.dat'} {'Plot3D/569965_0-66.dat'} {'Plot3D/569965_0-67.dat'} {'Plot3D/569965_0-68.dat'} {'Plot3D/569965_0-69.dat'} {'Plot3D/569965_0-7.dat'} {'Plot3D/569965_0-70.dat'} {'Plot3D/569965_0-71.dat'} {'Plot3D/569965_0-72.dat'} {'Plot3D/569965_0-73.dat'} {'Plot3D/569965_0-74.dat'} {'Plot3D/569965_0-75.dat'} {'Plot3D/569965_0-76.dat'} {'Plot3D/569965_0-77.dat'} {'Plot3D/569965_0-78.dat'} {'Plot3D/569965_0-79.dat'} {'Plot3D/569965_0-8.dat'} {'Plot3D/569965_0-80.dat'} {'Plot3D/569965_0-81.dat'} {'Plot3D/569965_0-82.dat'} {'Plot3D/569965_0-83.dat'} {'Plot3D/569965_0-84.dat'} {'Plot3D/569965_0-85.dat'} {'Plot3D/569965_0-86.dat'} {'Plot3D/569965_0-87.dat'} {'Plot3D/569965_0-88.dat'} {'Plot3D/569965_0-89.dat'} {'Plot3D/569965_0-9.dat'} {'Plot3D/569965_0-90.dat'} {'Plot3D/569965_0-91.dat'} {'Plot3D/569965_0-92.dat'} {'Plot3D/569965_0-93.dat'} {'Plot3D/569965_0-94.dat'} {'Plot3D/569965_0-95.dat'} {'Plot3D/569965_0-96.dat'} {'Plot3D/569965_0-97.dat'} {'Plot3D/569965_0-98.dat'} {'Plot3D/569965_0-99.dat'}
x = readmatrix(Uz{1}, 'Range','A:A')
x = 1432×1
2.4604
2.4967
2.5330
2.5693
2.6056
2.6419
2.6782
2.7145
2.7508
2.7871
ymtx = NaN(numel(x),numel(Uz));
for k = 1:numel(Uz)
ymtx(:,k) = readmatrix(Uz{k}, 'Range','B:B');
end
ymtx
ymtx = 1432×103
1.0e+03 *
1.2665 1.2390 1.2957 1.3295 1.2866 1.2756 1.3268 1.2701 1.2829 1.2226 1.2783 1.2601 1.2372 1.3058 1.2701 1.2336 1.2683 1.3149 1.2665 1.2528 1.2866 1.2747 1.2875 1.2546 1.2372 1.2482 1.3030 1.2144 1.2601 1.2327
1.4501 1.4590 1.5009 1.4444 1.4293 1.4477 1.4837 1.4664 1.4704 1.4638 1.4245 1.4523 1.4647 1.4399 1.4495 1.4558 1.4585 1.4437 1.4214 1.4375 1.4426 1.4605 1.3969 1.4208 1.4349 1.4192 1.4393 1.3960 1.4216 1.4406
1.5363 1.5556 1.5773 1.5481 1.5332 1.5465 1.5618 1.5608 1.5676 1.5171 1.5129 1.5126 1.5346 1.5261 1.5019 1.5353 1.5379 1.5365 1.5386 1.5538 1.5134 1.5041 1.4984 1.5068 1.5035 1.5194 1.5506 1.5214 1.5161 1.5338
1.5478 1.5654 1.5978 1.5399 1.5437 1.5322 1.5942 1.6009 1.5492 1.5622 1.5534 1.5291 1.5382 1.5195 1.5467 1.5613 1.5274 1.5388 1.5266 1.5480 1.5368 1.5309 1.5295 1.5255 1.5020 1.5091 1.5594 1.5322 1.5028 1.5248
1.4311 1.4366 1.4876 1.4550 1.4216 1.4367 1.4829 1.4560 1.4595 1.4462 1.4493 1.4380 1.4247 1.4277 1.4316 1.4370 1.4438 1.4556 1.4439 1.4534 1.4486 1.4815 1.4257 1.4244 1.4333 1.4281 1.4484 1.4249 1.4361 1.4369
1.2854 1.2920 1.3296 1.2637 1.2814 1.2909 1.3275 1.3605 1.3120 1.2900 1.2933 1.2971 1.2904 1.2928 1.2848 1.2823 1.3208 1.2892 1.2776 1.2796 1.2881 1.2830 1.2718 1.2602 1.2691 1.2963 1.2687 1.2730 1.2636 1.2779
1.0883 1.0985 1.1391 1.1115 1.1109 1.0882 1.1312 1.1230 1.1519 1.1412 1.1091 1.1299 1.1354 1.1099 1.1019 1.0860 1.1173 1.1026 1.1176 1.1082 1.1124 1.1322 1.0924 1.1117 1.1133 1.1100 1.0867 1.1197 1.1160 1.1154
0.9009 0.8975 0.9614 0.9353 0.9231 0.9332 0.9357 0.9385 0.9338 0.9446 0.9514 0.9479 0.9511 0.9505 0.9511 0.8918 0.9264 0.9319 0.9417 0.9383 0.9411 0.9382 0.9312 0.9162 0.9311 0.9320 0.8924 0.9365 0.9382 0.9440
0.7658 0.7547 0.8386 0.8016 0.7964 0.8062 0.8311 0.8224 0.8386 0.8390 0.8350 0.8314 0.8377 0.8427 0.8188 0.7682 0.8285 0.8411 0.8219 0.8207 0.8176 0.8246 0.8032 0.8206 0.8204 0.8089 0.7647 0.8138 0.8006 0.7879
0.6761 0.6596 0.7479 0.7089 0.7084 0.7049 0.7126 0.7284 0.7231 0.7455 0.7445 0.7436 0.7518 0.7280 0.7464 0.6505 0.7565 0.7515 0.7362 0.7359 0.7348 0.7378 0.7407 0.7288 0.7355 0.7176 0.6595 0.7250 0.7209 0.7094
figure
surf(ymtx, 'EdgeColor','none')
grid on
xticklabels = string(x);
yt = yticks;
NrYticks = 9; % Choose Any Integer Divisor of '54'
set(gca, 'YTick',linspace(min(yt), max(yt), NrYticks), 'YTickLabel',linspace(0, -54, NrYticks))
xlabel('x')
ylabel('y')
zlabel('z')
view(60,30)

% shading('interp')
Experiment to get different results.
.
10 件のコメント
Sam
2021 年 9 月 7 日
This has worked brilliantly, thank you so much, I don't think I would have been able to work this out alone!
Star Strider
2021 年 9 月 7 日
As always, my pleasure!
I’m certain you’d have worked it out. It likely would have taken only a bit longer than it did me.
.
Sam
2021 年 9 月 7 日
Sorry, one last question, how do I edit the x and y values as they don't seem to co-ordinate with the data, e.g. the y axis should go from 0 to ~54
Star Strider
2021 年 9 月 7 日
No worries. My apologies for the delay — I was out running errands.
I have edited my Answer to include the y-axis tick values.
Sam
2021 年 9 月 8 日
No need to apologise, you have been so quick to help!
Thank you so much!
Star Strider
2021 年 9 月 8 日
As always, my pleasure!
.
Star Strider
2022 年 1 月 11 日
編集済み: Star Strider
2022 年 1 月 11 日
Star Strider
2022 年 1 月 11 日
I sort of forgot where we were here (it’s been 4 months) so it took a few minutes to figure this out.
Depending on what the desired result is, there are two ways to do this:
- To simply restrict the plot, use the ylim function (straightforward),
- To select matrix rows that limit the values used in the surf call (as I did here), find the closest matrix row corresponding to the desired result, and plot only those rows.
The code here trims the matrix to the desired values, so that same approach can be used if only those values (limited row range of ‘ymtx’) are needed in other calculations. The ‘ChooseYVal’ value controls where the plot begins.
Uz = unzip('https://www.mathworks.com/matlabcentral/answers/uploaded_files/731649/Plot3D%5B1%5D.zip')
Uz = 1×103 cell array
{'Plot3D/569965_0-0.dat'} {'Plot3D/569965_0-1.dat'} {'Plot3D/569965_0-10.dat'} {'Plot3D/569965_0-100.dat'} {'Plot3D/569965_0-101.dat'} {'Plot3D/569965_0-102.dat'} {'Plot3D/569965_0-11.dat'} {'Plot3D/569965_0-12.dat'} {'Plot3D/569965_0-13.dat'} {'Plot3D/569965_0-14.dat'} {'Plot3D/569965_0-15.dat'} {'Plot3D/569965_0-16.dat'} {'Plot3D/569965_0-17.dat'} {'Plot3D/569965_0-18.dat'} {'Plot3D/569965_0-19.dat'} {'Plot3D/569965_0-2.dat'} {'Plot3D/569965_0-20.dat'} {'Plot3D/569965_0-21.dat'} {'Plot3D/569965_0-22.dat'} {'Plot3D/569965_0-23.dat'} {'Plot3D/569965_0-24.dat'} {'Plot3D/569965_0-25.dat'} {'Plot3D/569965_0-26.dat'} {'Plot3D/569965_0-27.dat'} {'Plot3D/569965_0-28.dat'} {'Plot3D/569965_0-29.dat'} {'Plot3D/569965_0-3.dat'} {'Plot3D/569965_0-30.dat'} {'Plot3D/569965_0-31.dat'} {'Plot3D/569965_0-32.dat'} {'Plot3D/569965_0-33.dat'} {'Plot3D/569965_0-34.dat'} {'Plot3D/569965_0-35.dat'} {'Plot3D/569965_0-36.dat'} {'Plot3D/569965_0-37.dat'} {'Plot3D/569965_0-38.dat'} {'Plot3D/569965_0-39.dat'} {'Plot3D/569965_0-4.dat'} {'Plot3D/569965_0-40.dat'} {'Plot3D/569965_0-41.dat'} {'Plot3D/569965_0-42.dat'} {'Plot3D/569965_0-43.dat'} {'Plot3D/569965_0-44.dat'} {'Plot3D/569965_0-45.dat'} {'Plot3D/569965_0-46.dat'} {'Plot3D/569965_0-47.dat'} {'Plot3D/569965_0-48.dat'} {'Plot3D/569965_0-49.dat'} {'Plot3D/569965_0-5.dat'} {'Plot3D/569965_0-50.dat'} {'Plot3D/569965_0-51.dat'} {'Plot3D/569965_0-52.dat'} {'Plot3D/569965_0-53.dat'} {'Plot3D/569965_0-54.dat'} {'Plot3D/569965_0-55.dat'} {'Plot3D/569965_0-56.dat'} {'Plot3D/569965_0-57.dat'} {'Plot3D/569965_0-58.dat'} {'Plot3D/569965_0-59.dat'} {'Plot3D/569965_0-6.dat'} {'Plot3D/569965_0-60.dat'} {'Plot3D/569965_0-61.dat'} {'Plot3D/569965_0-62.dat'} {'Plot3D/569965_0-63.dat'} {'Plot3D/569965_0-64.dat'} {'Plot3D/569965_0-65.dat'} {'Plot3D/569965_0-66.dat'} {'Plot3D/569965_0-67.dat'} {'Plot3D/569965_0-68.dat'} {'Plot3D/569965_0-69.dat'} {'Plot3D/569965_0-7.dat'} {'Plot3D/569965_0-70.dat'} {'Plot3D/569965_0-71.dat'} {'Plot3D/569965_0-72.dat'} {'Plot3D/569965_0-73.dat'} {'Plot3D/569965_0-74.dat'} {'Plot3D/569965_0-75.dat'} {'Plot3D/569965_0-76.dat'} {'Plot3D/569965_0-77.dat'} {'Plot3D/569965_0-78.dat'} {'Plot3D/569965_0-79.dat'} {'Plot3D/569965_0-8.dat'} {'Plot3D/569965_0-80.dat'} {'Plot3D/569965_0-81.dat'} {'Plot3D/569965_0-82.dat'} {'Plot3D/569965_0-83.dat'} {'Plot3D/569965_0-84.dat'} {'Plot3D/569965_0-85.dat'} {'Plot3D/569965_0-86.dat'} {'Plot3D/569965_0-87.dat'} {'Plot3D/569965_0-88.dat'} {'Plot3D/569965_0-89.dat'} {'Plot3D/569965_0-9.dat'} {'Plot3D/569965_0-90.dat'} {'Plot3D/569965_0-91.dat'} {'Plot3D/569965_0-92.dat'} {'Plot3D/569965_0-93.dat'} {'Plot3D/569965_0-94.dat'} {'Plot3D/569965_0-95.dat'} {'Plot3D/569965_0-96.dat'} {'Plot3D/569965_0-97.dat'} {'Plot3D/569965_0-98.dat'} {'Plot3D/569965_0-99.dat'}
x = readmatrix(Uz{1}, 'Range','A:A')
x = 1432×1
2.4604
2.4967
2.5330
2.5693
2.6056
2.6419
2.6782
2.7145
2.7508
2.7871
ymtx = NaN(numel(x),numel(Uz));
for k = 1:numel(Uz)
ymtx(:,k) = readmatrix(Uz{k}, 'Range','B:B');
end
ymtx
ymtx = 1432×103
1.0e+03 *
1.2665 1.2390 1.2957 1.3295 1.2866 1.2756 1.3268 1.2701 1.2829 1.2226 1.2783 1.2601 1.2372 1.3058 1.2701 1.2336 1.2683 1.3149 1.2665 1.2528 1.2866 1.2747 1.2875 1.2546 1.2372 1.2482 1.3030 1.2144 1.2601 1.2327
1.4501 1.4590 1.5009 1.4444 1.4293 1.4477 1.4837 1.4664 1.4704 1.4638 1.4245 1.4523 1.4647 1.4399 1.4495 1.4558 1.4585 1.4437 1.4214 1.4375 1.4426 1.4605 1.3969 1.4208 1.4349 1.4192 1.4393 1.3960 1.4216 1.4406
1.5363 1.5556 1.5773 1.5481 1.5332 1.5465 1.5618 1.5608 1.5676 1.5171 1.5129 1.5126 1.5346 1.5261 1.5019 1.5353 1.5379 1.5365 1.5386 1.5538 1.5134 1.5041 1.4984 1.5068 1.5035 1.5194 1.5506 1.5214 1.5161 1.5338
1.5478 1.5654 1.5978 1.5399 1.5437 1.5322 1.5942 1.6009 1.5492 1.5622 1.5534 1.5291 1.5382 1.5195 1.5467 1.5613 1.5274 1.5388 1.5266 1.5480 1.5368 1.5309 1.5295 1.5255 1.5020 1.5091 1.5594 1.5322 1.5028 1.5248
1.4311 1.4366 1.4876 1.4550 1.4216 1.4367 1.4829 1.4560 1.4595 1.4462 1.4493 1.4380 1.4247 1.4277 1.4316 1.4370 1.4438 1.4556 1.4439 1.4534 1.4486 1.4815 1.4257 1.4244 1.4333 1.4281 1.4484 1.4249 1.4361 1.4369
1.2854 1.2920 1.3296 1.2637 1.2814 1.2909 1.3275 1.3605 1.3120 1.2900 1.2933 1.2971 1.2904 1.2928 1.2848 1.2823 1.3208 1.2892 1.2776 1.2796 1.2881 1.2830 1.2718 1.2602 1.2691 1.2963 1.2687 1.2730 1.2636 1.2779
1.0883 1.0985 1.1391 1.1115 1.1109 1.0882 1.1312 1.1230 1.1519 1.1412 1.1091 1.1299 1.1354 1.1099 1.1019 1.0860 1.1173 1.1026 1.1176 1.1082 1.1124 1.1322 1.0924 1.1117 1.1133 1.1100 1.0867 1.1197 1.1160 1.1154
0.9009 0.8975 0.9614 0.9353 0.9231 0.9332 0.9357 0.9385 0.9338 0.9446 0.9514 0.9479 0.9511 0.9505 0.9511 0.8918 0.9264 0.9319 0.9417 0.9383 0.9411 0.9382 0.9312 0.9162 0.9311 0.9320 0.8924 0.9365 0.9382 0.9440
0.7658 0.7547 0.8386 0.8016 0.7964 0.8062 0.8311 0.8224 0.8386 0.8390 0.8350 0.8314 0.8377 0.8427 0.8188 0.7682 0.8285 0.8411 0.8219 0.8207 0.8176 0.8246 0.8032 0.8206 0.8204 0.8089 0.7647 0.8138 0.8006 0.7879
0.6761 0.6596 0.7479 0.7089 0.7084 0.7049 0.7126 0.7284 0.7231 0.7455 0.7445 0.7436 0.7518 0.7280 0.7464 0.6505 0.7565 0.7515 0.7362 0.7359 0.7348 0.7378 0.7407 0.7288 0.7355 0.7176 0.6595 0.7250 0.7209 0.7094
figure
surf(ymtx, 'EdgeColor','none')
grid on
xticklabels = string(x);
yt = yticks;
NrYticks = 9; % Choose Any Integer Divisor of '54'
ytixrows = linspace(0, -54, size(ymtx,1)); % Row Coordinates As 'Y-Tick' Values
ChooseYVal = -7.5; % Next Plot Begins Here
rowidx = ceil(interp1(ytixrows, (1:size(ymtx,1)), ChooseYVal)) % Row Index Corresponding To 'ChooseYVal'
rowidx = 200
set(gca, 'YTick',linspace(min(yt), max(yt), NrYticks), 'YTickLabel',linspace(0, -54, NrYticks))
xlabel('x')
ylabel('y')
zlabel('z')
title('Original With All Values Plotted')
view(60,30)

% shading('interp')
figure
surf(ymtx(rowidx:end,:), 'EdgeColor','none') % Uses Values Calculated In Previous Plot Code
grid on
xticklabels = string(x);
yt = yticks;
NrYticks = 9; % Choose Any Integer Divisor of '54'
% ytixrows = linspace(0, -54, size(ymtx,1)) % Row Coordinates As 'Y-Tick' Values
% ChooseYVal = -7.5;
% rowidx = ceil(interp1(ytixrows, (1:size(ymtx,1)), ChooseYVal)) % Row Index Corresponding To 'ChooseYVal'
set(gca, 'YTick',linspace(min(yt), max(yt), NrYticks), 'YTickLabel',linspace(ChooseYVal, -54, NrYticks))
xlabel('x')
ylabel('y')
zlabel('z')
title('Restricted To Values ≤-7.5 Plotted')
view(60,30)

.
Sam
2022 年 1 月 11 日
Oh wow, thank you so much for such a quick response. As I'm not too familar with the language used at the start, I was struggling on this for quite a while.
Star Strider
2022 年 1 月 11 日
As always, my pleasure!
If you have further questions and have problems figuring out how the code works, don’t struggle longer than necessary. Just ask, and I’ll do my best to provide an appropriate solution (or explain the reason a solution isn’t possible).
その他の回答 (2 件)
KSSV
2021 年 9 月 7 日
Read about surf. This is your function.
Sam
2021 年 9 月 7 日
Thank you for pointing this out, I have edited this!
My data is in three columns, the third column is redundant (errors), but the first and second column are my x and y, respectively.
The z values are in the file title, i.e. 569965_0-2.dat = 569965 (scan name); 0 (line number); 2 (spot/depth number, there are 102 spots for depth, this will be the z I assume)
I have attached one line here in my zip.
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中国のサイト (中国語または英語) を選択することで、最適なサイトパフォーマンスが得られます。その他の国の MathWorks のサイトは、お客様の地域からのアクセスが最適化されていません。
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