Description Usage Arguments Details Value Examples

`fps_lm.powdRlib`

returns a simple fit of a given pattern using linear regression,
where coefficients may be either positive or negative. Does not return quantitative
data. For quantitative results use `fps`

or `afps`

.

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 |

`lib` |
A |

`smpl` |
A data frame. First column is 2theta, second column is counts |

`harmonise` |
logical parameter defining whether to harmonise the |

`refs` |
A character string of reference pattern IDs or names from the specified library.
The IDs or names supplied must be present within the |

`std` |
The phase ID (e.g. "QUA.1") to be used as internal
standard. Must match an ID provided in the |

`tth_align` |
A vector defining the minimum and maximum 2theta values to be used during
alignment (e.g. |

`align` |
The maximum shift that is allowed during initial 2theta alignment (degrees). Default = 0.1. |

`manual_align` |
A logical operator denoting whether to optimise the alignment within the
negative/position 2theta range defined in the |

`tth_fps` |
A vector defining the minimum and maximum 2theta values to be used during
full pattern summation (e.g. |

`shift` |
A single numeric value denoting the maximum (positive or negative) shift, in degrees 2theta, that is allowed during the shifting of selected phases. Default = 0. |

`p` |
a numeric parameter between 0 and 1 specifying the p-value limit for coefficients. Any reference patterns with a p-value greater than this value will be omitted from the linear regression and results recomputed. Must be greater than 0.000001 but no greater than 1. |

`...` |
Other arguments |

Requires a `powdRlib`

library of reference patterns. Mineral concentrations
are not quantified and therefore reference intensity ratios are not required.

a powdRlm object with components:

`tth` |
a vector of the 2theta scale of the fitted data |

`fitted` |
a vector of the count intensities of the fitted XRPD pattern |

`measured` |
a vector of the original count intensities of the XRPD measurement (aligned) |

`residuals` |
a vector of the residuals (fitted vs measured) |

`phases` |
a dataframe of the phases used to produce the fitted pattern and their concentrations |

`phases_grouped` |
the phases dataframe grouped by phase_name and concentrations summed |

`weighted_pure_patterns` |
a dataframe of reference patterns used to produce the fitted pattern. All patterns have been weighted according to the coefficients used in the fit |

`coefficients` |
a named vector of coefficients used to produce the fitted pattern |

`inputs` |
a list of input arguments used in the function call |

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 | ```
data(rockjock)
data(rockjock_mixtures)
#Compute the PCA and loadings
x1 <- xrpd_pca(rockjock_mixtures,
mean_center = TRUE,
bin_size = 1,
root_transform = 1)
## Not run:
fps_lm_out <- fps_lm(rockjock,
smpl = data.frame("x" = x1$loadings$tth,
"y" = x1$loadings$Dim.1),
refs = rockjock$phases$phase_id,
std = "QUARTZ",
align = 0.3,
p = 0.01)
plot(fps_lm_out,
wavelength = "Cu",
interactive = TRUE,
group = TRUE)
## End(Not run)
``` |

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