Skip to main content


Table 2 All the attributes in CML schema3 that appear in the document as type.

From: CMLLite: a design philosophy for CML

Attribute Group name On element Allowed values
cellParameterType cellParameter "length" "angle"
peakStructureType peakStructure "coupling" "splitting" "other"
reactionStepList reactionStepList "unknown" "consecutive" "choice" "simultaneous" "other"
reactionType reaction, reactionScheme "chainReaction" "initiation" "termination" "reversible" "other"
spectrumType spectrum "infrared" "massSpectrum" "NMR" "UV/VIS" "other"
substanceListType substanceList "solution" "mixture" "other"
Type action, actionList, eigen, list, object, observation, particle, substance xsd:string