#### XRPD data

Choose a .csv file containing the 2$$\theta$$ scale and the count intensities of all reference patterns.

#### Phase information

Upload a .csv file containing the id's, names and reference intensity ratios of all reference patterns.

### 2. Build

Provide a name for the new powdRlib object. This is what the library will be called if it is subsequently loaded into R (can be kept as the default 'RefLib'):

### Phases in your reference library

Choose a .Rdata reference library to load. Must be a powdRlib object created using either the powdRlib function, or via the Reference Library Builder in this application.
Select a wavelength to use when calculating d-spacings.
Choose phases from the library to plot.

Choose a .Rdata reference library to load. Must be a powdRlib object created using either the powdRlib function, or via the Reference Library Builder in this application.

### 4. Subset

Provide a name for the new powdRlib object. This is what the library will be called if it is subsequently loaded into R (can be kept as the default 'RefLib'):

### 1. Load a sample for quantification

Must be .xy format (space separated)

### 2. Load a reference library

Must be a .Rdata powdRlib object

### 3. Select a solver

Choose the optimisation routine

### 4. Select phases

Choose an internal standard for peak alignment. If the manual alignment box below is ticked, then this internal standard is not used and instead the sample is aligned by the amount selected in the alignment slider.

Adjust the 2$$\theta$$ range for full pattern summation
Adjust the value below which trace phases are removed (weight %)
Select a wavelength to use when calculating d-spacings.

### 1. Load a sample for quantification

Must be .xy format (space separated)

### 2. Load a reference library

Must be a .Rdata powdRlib object

### 3. Select a solver

Choose the optimisation routine
Choose the objective function to minimise

### 4. Select phases

Choose an internal standard for peak alignment/limit of detection estimation.
Choose which (if any) phases should be treated as amorphous.

Adjust the 2$$\theta$$ range for full pattern summation
Estimate the limit of detection (weight %) of the selected internal standard, from which all other LOD's are estimated.
Remove amorphous phases below this limit (weight %)
Select a wavelength to use when calculating d-spacings.

### 7. Automated full pattern summation

##### Once computation has finished, the results will be tabulated and plotted below. Results can then be exported using download buttons at the bottom of this page.

Choose a .Rdata file to load. Must be a powdRfps or powdRafps object created using the fps() or afps() functions. These objects can also be saved from the 'Full pattern summation' or 'Automated full pattern summation' tabs of this application.
Select a wavelength to use when calculating d-spacings.
Choose how the results are tabulated. If 'Grouped phases' is selected, the mineralogy is summarised according to the phase_name column, e.g. if more than one quartz pattern is used, these will be summed together.

### 1. Load results to edit

Must be .Rdata powdRfps or powdRafps object

### 2. Load the reference library

Must be a .Rdata powdRlib object of the library used to produce the original results

### 3. Select a solver

Choose the optimisation routine
Choose the objective function to minimise

### 4. Select phases

Select phases to remove from the original analysis
Select phases from the library to add to the analysis
Select an internal standard

Adjust the 2$$\theta$$ range for full pattern summation