71 Commits (3da30f29209563efd0c4a5804c7dcd127bbb03f8)
 

Author SHA1 Message Date
Taha Ahmed 3da30f2920 Fixed a bug: electrode scales Li, Mg, or Na did not work
The matching algorithm would fail for any electrode scale that had string in potentials.as.SHE()$conc.string that was not "saturated" (which happened to be the alkali metals). Fixed this issue by making the matching step-wise, and adding a few more checks for zero rows returned.
7 years ago
Taha Ahmed 969244320c Added two functions: O2 solubility in water
from empirical fits, and one function that returns water vapour pressure (simply interpolates based on the previously available dataset).
7 years ago
Taha Ahmed 681e636bf4 Added water vapour pressure data,
and functions for converting torr <-> pascal.
7 years ago
Taha Ahmed 678a6ce4b7 Fixed circ dependency created in last commit
Goofed and declared dependency on photoec in previous commit. Fixed it by removing it and the non-exported function that used it.
Note to self: this package should not import any of my other packages.
7 years ago
TA a11f59eb22 Added function simpleCap() 7 years ago
Taha Ahmed 3f4462aae8 Added more data and squashed a few bugs. 8 years ago
Taha Ahmed b1bed60d40 Potentials vs SHE now converted to SHE.
Previous behaviour returned NAs for values that were already vs SHE. That issue now fixed. The fix included added SHE (zero at all temperatures) to as.SHE.data.
8 years ago
Taha Ahmed 82f635f3a3 as.SHE() now supports arguments with arbitrary length.
Ended up completely rewriting as.SHE() and some of the companion functions.
8 years ago
Taha Ahmed dc0fcb0629 Function that converts scale names is now accessible (exported).
Capitalised scale names so they match more variations (remember, matching uses tolower(), so no need to start with lowercase).
8 years ago
Taha Ahmed 1dee1918c1 Deprecated the old electrochemical conversion functions
AVS2SHE, SHE2AVS,ConvertRefPotEC and ConvertRefPot
8 years ago
Taha Ahmed 5d7230ebaf Completely reworked electrochemical scale converter
by adding a new family of functions.
Corrected package version number to dev. A few other smaller (older) changes.
8 years ago
Taha Ahmed e22546cb3c Refactored code into a rudimentary R package. 8 years ago
Taha Ahmed c00fcc54a9 Added functions for converting to/from wavelength and wavenumbers. 8 years ago
Taha Ahmed e2d0d21236 Lots of changes, apparently ... Note previous commit missed files.
Latest change: addition of generic Xtable handler functions
    (GenericXtableSetAttributes(), TabularXtableHeader(), and the longtable
    version of that one, which is LongtableXtableHeader()).
11 years ago
Taha Ahmed a67ce80e2b Lots of changes, apparently ...
Latest change: addition of generic Xtable handler functions
(GenericXtableSetAttributes(), TabularXtableHeader(), and the longtable
version of that one, which is LongtableXtableHeader()).
11 years ago
Taha Ahmed 203bd6cfbe Added an extra arg (mainlabel) plus other minor changes so that LaTeX doesnot complain
about "multiply-defined labels".
13 years ago
Taha Ahmed d0044d87ed New function SubfigureGenerator() takes a vector of images and captions and creates a LaTeX subfigure. 13 years ago
Taha Ahmed 1a52116071 Added the small utility function hms2seconds()
Converts character strings of hours, minutes, seconds to seconds (as numeric).
13 years ago
Taha Ahmed 7d6044143b Implemented a switch (arg) that allows new behaviour (optional) ...
without breaking code that relies on old behaviour (default).
13 years ago
Taha Ahmed ca87357da3 Changed implementation to dirname(basename()). This should be more robust. ...
This should be more robust as the dirname follows a more stringent format
than the filename itself.
13 years ago
Taha Ahmed 16faf22b9f numbers2words() converts numbers into their spelled names. capitalize is...
... a simple function for capitalizing the first letter of a string.
It should work well in conjunction with numbers2words() at the beginning
of sentences.
13 years ago
Taha Ahmed d36666ac24 Made regex more specific (now matches "\\labreport...}{").
Previous behaviour matched first part of \SI{}{} as well and was unwanted.
13 years ago
Taha Ahmed b6383eb556 Function that fetches the substrate-history from the sample-matrix,
and prettifies the dataframe a little (removes empty columns) before returning it.
13 years ago
Taha Ahmed a6466ddc02 Split original git repo by subdirectory. 13 years ago
Taha Ahmed 5ee85d580e Added function to read Perkin-Elmer spectra files.
This function reads *.SP files (ASCII), and currently fetches only data (no meta-data).
13 years ago
Taha Ahmed 98dcf3b7a3 Updated to reflect change (long time ago) in folder structure. 13 years ago
Taha Ahmed f0ed360c0d Ok, no commits since a while. Last change was remake of init.R to improve readability. 13 years ago
Taha Ahmed 70c39b9145 xrdpkWrapper.R now correctly handles situations where file already exists,
override = TRUE, and run > 1. Previously only the latest run was actually saved,
although the created list had the right length.
Works correctly and as intended now, as far as I can tell.
13 years ago
Taha Ahmed 3d4244f1fd Added XRD peak wrapper functions (as done previously for XRF and Raman).
Also put the short R-data loading function I wrote into the
common directory.
13 years ago
Taha Ahmed 0579b5ea52 Many small changes and updates. Need separate git repo for each instrument. 13 years ago
Taha Ahmed beab0b9e64 Solved the issue with repeating diffractometry analyses by wrapper functions.
Caught some errors and made some improvements in the other functions.
13 years ago
Taha Ahmed 4fff82be0c Complete re-write of tifftags2df (only internal changes).
No changes in input or output of this function, only of the internal
mechanism with which tags are chosen and formatted for output.
init.R contains the sourceDir() function which is necessary for sourcing
all .R files in a directory.
13 years ago
Taha Ahmed b55af5d478 Re-wrote muxd2df() from scratch.
To make it able to include parameters as well as data in the returned df.
muxd2df() now works satisfactorily, outputs parameters such as steptime,
theta, and cps as well as thth and counts.
Other minor changes mostly updates of source file pointers.
13 years ago
Taha Ahmed b976bd3fa4 Split all files into their separate functions, put each former file in a directory.
The idea is to better expose each function, since some functions tended
to drown in the larger files.
Note that dependecies are are not resolved yet.
Many functions are probably broken right now, especially those who point
to common.R.
13 years ago
Taha Ahmed f12fe6306c Added empirical_formula to attributes of pdf2df().
Since chemicalformula can be quite a mess for some PDFs.
13 years ago
Taha Ahmed ed1853b706 Changed from factors to strings in pdf2df().
Added stringsAsFactors = FALSE to dataframe.
13 years ago
Taha Ahmed 52adff796b Added ocp2df() function to AUTOLAB.R.
ocp2df() is a straight-forward, no-frills function.
14 years ago
Taha Ahmed 77fd0b5aef Renamed chronoamp2df() to amp2df(). Added stringsAsFactors.
Renamed because the technique I have used so far is regular amperometry,
not chronoamperometry. Whatever the distinction is, I am not really sure.
Anyway, this function corresponds to the amperometry2df() function for CHI760.
14 years ago
Taha Ahmed ab65adee9d Fixed the problem with multiple-potential steps in mps2df(). 14 years ago
Taha Ahmed e6eb2b9544 Created the chronoamp function for AUTOLAB.
Small changes in the chronoamp2df() for CHI.
14 years ago
Taha Ahmed 8e7eb9e9b1 In chronoamp2df(), changed the naming for the two "step" parameters.
This way, it should be more clear which is the dynamic counter, and which
is the static counter.
Also removed factor() around the dynamic step counter.
14 years ago
Taha Ahmed e3a7e20ff8 Updated chronoamp2df() to the new attributes system. Also improved docs. 14 years ago
Taha Ahmed b687e77eb5 ConvertRefPot() now handles AVS scale too. 14 years ago
Taha Ahmed 1d0dd666b0 Moved baseline args gam and scl.factor to Ramanpk() function arg. 14 years ago
Taha Ahmed 6a312409c3 Removed re-calc to evenly spaced shift from Raman2df().
The first test showed that such an approach would not work
(see comment in Raman2df()).
14 years ago
Taha Ahmed 9d67dbfad2 Raman2df() now includes evenly spaced spectrum in return dataframe.
It appears this will be such a common operation that it is worth
including in the fetch function itself.
14 years ago
Taha Ahmed aadd16e605 Raman spectrum are now sorted by increasing Raman shift by Raman2df().
INCA.R deals with EDS data.
Minor updates to CHI.R (check the diff logs for details).
14 years ago
Taha Ahmed 2287b7f57f Updated lsv2df(). Now includes attributes in dataframe columns.
Added calculation of charge density.
Also updated the description.
14 years ago
Taha Ahmed 0f936f1e62 Updated ocp2df() in CHI.R to put attributes in the dataframe columns. 14 years ago
Taha Ahmed bd2b1731fc Major update in CHI.R, function amperometry2df() improved, fixed.
There was an error in amperometry2df(), whereby the timediff calculated
was way too low. Was possibly related to the It2charge() function
used to calculate those values. That function (in common.R) is no longer
used by amperometry2df().
Also updated amperometry2df() so it now includes the data attributes
in the return dataframe itself, as columns (compare cv2df()).

common.R: do not use the It2charge() function in the future.
Do such calculations inline instead.
14 years ago