Implement v1.1 of CanSAS standard in SaveCansas1D and LoadCansas1D

[Martyn Gigg]

V1.1 of the canSAS XML reduced data file standard is now released (see link below).

​http://www.cansas.org/svn/1dwg/trunk/doc/cansas-1d-1_1-manual.pdf

Please could the necessary changes to SaveCansas1D be ticketed, please.

I also attach a non-Mantid-generated example output file to show what the revised data files should look like.

The way I would envisage the new SaveCansas1D algorithm working is that when called to write a reduced 1D data workspace, Mantid checks to see if either or both of the transmissions (sample & can) used to calculate that data have been generated as part of the reduction process. If they have then they should be automatically inserted into the XML file. If they are not present (eg, the user has chosen to reduce data without transmisisons or has deleted both of the transmission workspaces associated with the reduction before choosing to write the file) then the file is written without any SAStransmission_spectrum blocks.

Note that it would be perfectly acceptable for a file to ONLY contain a sample transmission or a can transmission; though the latter case would indeed be odd, it is not forbidden; the former case would be quite common (a reduction without any can subtraction).

Any chance these changes could make it into the May release?

[Gesner Passos]

Render SaveCanSAS1D extendable

Make protected methods and chose some methods to be virtual.

re #6839

Changeset: 447cc308bf146fcd5b0cc1fdf0aad2b4acfe2bd0

[Gesner Passos]

Introduction of SaveCanSAS1D2.

This algorithm implements the CanSAS version 1.1

re #6839

Changeset: 2441d60e53432887c149f21175c235dcd589844c

[Gesner Passos]

Add unit test to SaveCanSAS1D2

re #6839

Changeset: d09ac84d8897a16e2f86ec529bf26a6add1123aa

[Gesner Passos]

Add LoadCanSAS1D2 the second version

it allows to load cansas version 1.1

re #6839

Changeset: 621e3ab8e701d28a71675b0a4751d3606fe609d2

[Gesner Passos]

There was one note at the description:

Note that it would be perfectly acceptable for a file to ONLY contain a sample transmission or a can transmission; though the latter case would indeed be odd, it is not forbidden; the former case would be quite common (a reduction without any can subtraction).

I've considered this an invalid request. Mainly because it breaks the xml-schema. Speaking about the required SASentryType, it says that SASdata (the reduction data) must occur at least 1 (minOccurs). So, we can not save only transmission data.

<element name="SASdata" minOccurs="1" maxOccurs="unbounded" type="tns:SASdataType" />

[Gesner Passos]

This ticket will only implement the second version of load and save canSAS. It will let the introduction of this new feature inside the Reduction to the ticked #6929

[Gesner Passos]

The reduced data.

[Gesner Passos]

The transmission sample data

[Gesner Passos]

the transmission can data.

[Gesner Passos]

Tester:

The version 1.1 introduced the possibility to add transmission data correlated to reduced data. These new values are optionals. So, I suggest you to try the following. Load the three nexus files attached to this ticket (reduced_data, transmission_sample_dta, transmission_can_data). Then, apply the SaveCanSAS some times:

SaveCanSAS('reduced_data','/tmp/reduced_data_only.xml')
SaveCanSAS('reduced_data','/tmp/reduced_with_sample.xml', 'transmission_sample_data')
SaveCanSAS('reduced_dta','/tmp/all_three.xml','transsmission_sample_data','transmission_can_data')

You can then, check that all these files are conformed the xml-schema:

xmllint --schema http://www.cansas.org/svn/1dwg/trunk/cansas1d.xsd /tmp/reduced_data_only.xml  --noout

Finally, you may Load all these files (enabling the LoadTransmission flag) to check if the Load can load all these files correctly.

One test that will not pass is to check the workspace with the one loaded from nexus. The reason is that CanSAS does not define bins, but single position for the pixels, and it was choosen to set the center of the bin as its position. So, the X values are different.

[Gesner Passos]

You must add the entry DetectorNames=HAB for Saving SaveCanSAS

[Gesner Passos]

branch feature/6839_cansas_v1.1

[Gesner Passos]

Render SaveCanSAS1D extendable

Make protected methods and chose some methods to be virtual.

re #6839

Changeset: 447cc308bf146fcd5b0cc1fdf0aad2b4acfe2bd0

[Gesner Passos]

Introduction of SaveCanSAS1D2.

This algorithm implements the CanSAS version 1.1

re #6839

Changeset: 2441d60e53432887c149f21175c235dcd589844c

[Gesner Passos]

Add unit test to SaveCanSAS1D2

re #6839

Changeset: d09ac84d8897a16e2f86ec529bf26a6add1123aa

[Gesner Passos]

Add LoadCanSAS1D2 the second version

it allows to load cansas version 1.1

re #6839

Changeset: 621e3ab8e701d28a71675b0a4751d3606fe609d2

[Anders Markvardsen]

Tested by using sans2d run 11109 where I saved cansas and loaded in again. also tested that i could load in old format

[Gesner Passos]

Render SaveCanSAS1D extendable

Make protected methods and chose some methods to be virtual.

re #6839

Changeset: 447cc308bf146fcd5b0cc1fdf0aad2b4acfe2bd0

[Gesner Passos]

Introduction of SaveCanSAS1D2.

This algorithm implements the CanSAS version 1.1

re #6839

Changeset: 2441d60e53432887c149f21175c235dcd589844c

[Gesner Passos]

Add unit test to SaveCanSAS1D2

re #6839

Changeset: d09ac84d8897a16e2f86ec529bf26a6add1123aa

[Gesner Passos]

Add LoadCanSAS1D2 the second version

it allows to load cansas version 1.1

re #6839

Changeset: 621e3ab8e701d28a71675b0a4751d3606fe609d2

[Gesner Passos]

Render SaveCanSAS1D extendable

Make protected methods and chose some methods to be virtual.

re #6839

Changeset: 447cc308bf146fcd5b0cc1fdf0aad2b4acfe2bd0

[Gesner Passos]

Introduction of SaveCanSAS1D2.

This algorithm implements the CanSAS version 1.1

re #6839

Changeset: 2441d60e53432887c149f21175c235dcd589844c

[Gesner Passos]

Add unit test to SaveCanSAS1D2

re #6839

Changeset: d09ac84d8897a16e2f86ec529bf26a6add1123aa

[Gesner Passos]

Add LoadCanSAS1D2 the second version

it allows to load cansas version 1.1

re #6839

Changeset: 621e3ab8e701d28a71675b0a4751d3606fe609d2

[Gesner Passos]

Render SaveCanSAS1D extendable

Make protected methods and chose some methods to be virtual.

re #6839

Changeset: 447cc308bf146fcd5b0cc1fdf0aad2b4acfe2bd0

[Gesner Passos]

Introduction of SaveCanSAS1D2.

This algorithm implements the CanSAS version 1.1

re #6839

Changeset: 2441d60e53432887c149f21175c235dcd589844c

[Gesner Passos]

Add unit test to SaveCanSAS1D2

re #6839

Changeset: d09ac84d8897a16e2f86ec529bf26a6add1123aa

[Gesner Passos]

Add LoadCanSAS1D2 the second version

it allows to load cansas version 1.1

re #6839

Changeset: 621e3ab8e701d28a71675b0a4751d3606fe609d2

[Gesner Passos]

correct the number of bins at transmission

Correct a wrong implementation of saving cansas that does not take the correct number of values to save them.

re #6929 re #6839

Changeset: a542e0b51658f4f324fbf0ac649aed3380469fd7

[Gesner Passos]

Correct the unit test to adjust the units

the commit a542e0b51658f4f324fbf0ac649aed3380469fd7 changed the units, and this commit, updates the unit test.

re #6929 re #6839

Changeset: 94126a9398bef8b9c69d796fee5ca48ab0c7a508

[Stuart Campbell]

This ticket has been transferred to github issue ​7685