【正文】 e an interv al ov er which the data should be ignored, y ou can set it up in the Excluded Region tab. Click Add Term and enter the 2 theta range y ou want to exclude. Phases Phase def inition in Maud In the main Maud window, on the right side, select the Phases tab. It should be empty. You can create a new one (box icon, right next to the ey e) or load a sample f rom the database (f ollowing icon). Things are much easier if y our material is in the database: ? click on the icon ? select the f ile in the Maud directory ? if y ou39。re interested in. ? In the cake menu, choose integrate ? First set of questions should be OK ? In the second set of questions, we want to a slice of data between azimuth and azimuth , integrated onto a 1D spectrum, therefore o select as start azimuth o select + as end azimuth o select 1 as number of azimuthal bins o Intensity corrections (be careful with this, new 01/20/2020). There are options in fit2d to apply corrections to the integrated intensity. For the results of fit2d to be patible with MAUD, you want to set Intensity conservation to NO and Geometrical corrections to intensity to NO as well. Maud will do the intensity corrections by itself. ? Click OK and fit2d will integrate your slice of data: A slice of data in fit2d ? On Linux platforms, there may be a bug: the YAxis will be labelled with strange symbols or nothing at all: THIS HAS TO BE CORRECTED!! otherwise the rest of the analysis will crash... o select Exit, Options, ZAxix Label and enter whatever you wish (I like Intensity). o go back to the Cake function. ? The data can be saved into a text file, with a chi extension. Proceed as follow o Select Exit, Output, and Chiplot o Choose your file name. o Clik OK. o Have a look at the file you just created. You can use it for plotting, or postprocessing with many kinds of software. Binning of diffraction data with Fit2d: automatic For the analysis of radial diffraction patterns, one has to bin the data over a large number of orientations. One could repea t the process above by hand, but 5 degrees slices over 360 degrees represent 72 chi files, so creating them by hand could take a while. Luckily, one can script fit2d and things bee easier... In any case, the process above has to be performed at least once: to calibrate parameters such as inner and outer radius, but also to correct the nasty bug on ZAxis label on unix platforms. To create macro files for Fit2d, one can use the sofware Fit2d2maud. Simply download the archive a run it: ? on a mac or windows: double click on the file ? on unix: type java jar The Fit2d2maud main window You will be asked to define ? the wavelength and sample to detector distance ? the directory with the diffraction data ? the directory that will contain the chi files ? the directory that will be used to store the Maud data files I strongly remend that you use separate directories for all of those... Once everything is set up, ? click on Create Macro for Fit2d ? you39。s the trick ? Load up your data (or calibration file) into fit2d. ? Select the cake function, if you just performed your calibration or used the cake function already, you won39。re interested in. ? In the cake function main menu, choose Integrate. ? First set of numbers should be OK. ? Second set of numbers should be OK as well. You should get an image like this one: Cake Image in Fit2d Make sure that all rings became straight lines (zoomin, test... really carefully). If they39。Processing radial diffraction data with Maud ( Ok, I39。re not: something is wrong with your calibration. Sometimes (on Linux for instance) zooming functions seem to be crashing: simply remove the double click option and you39。t get any question. Otherwise, you39。ll be asked to define basename, start azimuth, end azimuth and interval. For instance, if you choose agCalib for basename, 0 for start azimuth, 360 for end azimuth and 5 for interval, the macro will create the following chi files for a slice integrated between and for a slice integrated between and for a slice integrated between and .... for a slice integrated between and ? Macro will be saved in a file in your data directory. Running the macro ? in fit2d, make sure that you have the image of the 2D diffraction pattern (play with the exchange button) ? leave the diffraction mode: Exit ? enter the macro mode: Macros / Log file ? select Run Macro, choose the file you just created ( in my case), and fit2d should go ahead and create the chi files (72 of them if you chose and interval of 5 degrees between 0 and 360 degrees). Converting chi file series for use in Maud In Maud, data are stored in a file with an esg extension. They contain all data for all azimuth angles within a single text file. The fit2d2maud software can convert series of chi files into esg: ? click on Convert Chi to Esg ? enter your basename, start azimuth, end azimuth and interval. ? click OK. Fit2d2maud will read all chi files and create a big esg file for use in Maud. In my case, I have 72 chi files, each of them is 50 kbytes, and the esg file is Mbytes, so it takes a few seconds... but it works. Maud Calibration Starting Maud Maud Startup Loading the data Start Maud, y ou39。re lucky, your phase is in the list... If y our material is not in the database, y ou39。re really lucky, it39。t get it right, it can be usefull to go back to the manual adjustment, from the Dataset window, View one of them, in the Change parameter in the Tool menu. You can use this function to see what is the effect of each parameter and figure out what to do next... A decent fit (maplot) A decent fit (regular plot) Check Orientations Importance of orientations