Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf5e4258bfe313133cf18deae8d870ed",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 32.366,
"b": 71.819,
"c": 80.771,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.39,1.72],
"number_observations_unique": 19606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.14
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 20.94
},
{
"type": "Completeness",
"value": 93.0
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.84,1.80],
"number_observations_unique": 977,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.495
},
{
"type": "R(pim)",
"value": 0.941
},
{
"type": "Completeness",
"value": 95.3
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.469
}
]
}
]
}