Improve usability of fitting e.g. during calibration

[martyngigg]

This issue was originally TRAC 11223

Usability of fitting e.g. during calibration:

• Single peak - Initial guesses based on instrument in non-TOF units (all)
• Improved algorithms for different dspacing range, e.g. different shapes for different banks
• Look at things done on e.g. SXD
• Defined outputs based on instrument/technique
• Batch fitting with functions, consider interface to GSAS (Pascal)

Ask Pascal Manuel for more information.

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Keywords: SSC 2015 all, fitting

[martyngigg]

@NickDraper (2015-03-10T15:49:01):
Batch modify all SSC tickets to critical priority (this will also show up as an update for all those already as critical)

[FedeMPouzols]

Small note on the comments about units: sometimes the issue is that Fullprof uses diferent units than GSAS. The opinion from Pascal here is that Fit works well already, but the details about the units need polishing.

[FedeMPouzols]

I think that this would be probably handled much better by @raquelalvarezbanos and @samueljackson92, as the main contact for this issue was Pascal. The 2016 Mantid roadmap includes this / points with a lot of overlap with this.

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