What to do with name and namecustom in variableMetadata? #2
Description
The CAMERA W4m tool exports the variableMetadata file with columns named as follows.
When two ions share the same nominal m/z and the same RT rounded to the nearest minute, they are distinguished with an appended underscore and unique integer.
name namecustom mz mzmin mzmax rt rtmin rtmax ...
M116T942_1 M115.92T941.79_1 115.920017450104 115.920017450104 115.920017450104 941.788879394531 941.788879394531 941.788879394531 ...
M116T942_2 M116.0257T942.02_2 116.025652285795 116.024881361083 116.02574776815 942.023803710938 937.489135742188 944.321716308594 ...
w4mclassfilter::w4m_filter_by_sample_class could replace name with a non-degenerate version of namecustom without the succeeding underscore-and-integer, using as many additional rounded places of MZ or RT as may be needed (probably it wouldn't be needed in the above case). For example, the above example would be rendered as follows (with names also correspondingly changed in the dataMatrix):
variableMetadata originalName mz mzmin mzmax rt rtmin rtmax ...
M115.92T941.79 M116T942_1 115.920017450104 115.920017450104 115.920017450104 941.788879394531 941.788879394531 941.788879394531 ...
M116.0257T942.02 M116T942_2 116.025652285795 116.024881361083 116.02574776815 942.023803710938 937.489135742188 944.321716308594 ...
whereas, if the export had no fractional RT in name custom, e.g.:
name namecustom mz mzmin mzmax rt rtmin rtmax ...
M116T942_1 M115.92T942_1 115.920017450104 115.920017450104 115.920017450104 941.788879394531 941.788879394531 941.788879394531 ...
M116T942_2 M116.0257T942_2 116.025652285795 116.024881361083 116.02574776815 942.023803710938 937.489135742188 944.321716308594 ...
then the output would be rendered:
variableMetadata originalName mz mzmin mzmax rt rtmin rtmax ...
M115.92T941.8 M116T942_1 115.920017450104 115.920017450104 115.920017450104 941.788879394531 941.788879394531 941.788879394531 ...
M116.0257T942.0 M116T942_2 116.025652285795 116.024881361083 116.02574776815 942.023803710938 937.489135742188 944.321716308594 ...