Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07daebca4b6f74b32ee9280c4063c23a",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.518,
"b": 42.518,
"c": 217.472,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.37,1.80],
"number_observations": 321877,
"number_observations_unique": 19437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 16.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.90,1.80],
"number_observations": 38365,
"number_observations_unique": 2554,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.426
},
{
"type": "R(meas)",
"value": 3.537
},
{
"type": "R(pim)",
"value": 0.841
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Redundancy",
"value": 15.0
},
{
"type": "CC(1/2)",
"value": 0.530
}
]
}
]
}