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imageNCIF Convergence ?
- To: Multiple recipients of list <imgcif-l@bnl.gov>
- Subject: imageNCIF Convergence ?
- From: "I. David Brown" <idbrown@mcmail.CIS.McMaster.CA>
- Date: Wed, 17 Jan 1996 10:19:31 -0500 (EST)
Andy has summarised very well the consensus that is developing in the group, but it is important to point out that, however much the ascii part of the binary file may look like a cif, it will not be a cif as long as it is included in a file that contains binary information. If the ascii text is extracted (possibly without any alteration) into a file that contains no binary sections, then it might well be a cif, and comcifs would need to approve its adoption. Comcifs as a committee would have nothing to say about the validity of the ascii text once it were embedded into the binary file. Still, it would make sense to keep the ascii part in a form that, when extracted, constituted a legitimate cif. In this way, any cif could be embedded in the binary file in order to keep the image data together with the associated crystallographic information, the the cif could later be removed and treated by normal cif-reading software. Andy's second part draws attention to another restriction in cif which might cause problems, and that is the rule that each data name (e.g. _image_data_type) can only be used once in a data block. This is causing some problems in other cif dictionaries and these problems have not been entirely resolved. It means that the header I gave in my last comment could only be used once, so that the information about only one image could be given in a datablock unless the images are included in a loop. However, only one level of loop is allowed in cif, so the presence of the loop in the example I gave would prevent the images from also being looped. This restriction, which is a consequence of the difficulty of reading nested loops, has the effect of making the datanames more specific, not less. Generic names starting with _binary_*, for example, would allow the description of only one binary block per cif data block. The tendency in cif would be not only to have different data names for headers of different kinds of binary blocks but to have different datanames for different kinds of images, e.g. _image_raw_data_*, _image_corrected_data_*, etc., which would allow several different image headers to appear in the same data block. It is true that this restriction tends to fill the dictionaries with more names, but it does provide a very precise description of the crystallographic function of each image, which is helpful to the crystallographic software that has to process the information. David Brown ***************************************************** Dr.I.D.Brown Brockhouse Institute for Materials Research, McMaster University, Hamilton, Ontario, Canada 1-(905)-525-9140 ext 24710 *****************************************************
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