Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "769858284fccdf791154d5ffdae7d4d9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.016,
"b": 68.849,
"c": 54.170,
"alpha": 90.00,
"beta": 100.72,
"gamma": 90.00
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.03,1.32],
"number_observations": 601099,
"number_observations_unique": 90832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 20.5
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.39,1.32],
"number_observations": 73865,
"number_observations_unique": 12735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "R(meas)",
"value": 0.500
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
}
]
}