Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9a5d57f8009fb8792ac4f8395096129e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.433,
"b": 51.957,
"c": 136.149,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.96,1.35],
"number_observations_unique": 69077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 12.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [51.96,7.39],
"number_observations_unique": 533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.37,1.35],
"number_observations_unique": 2387,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.532
},
{
"type": "R(meas)",
"value": 1.712
},
{
"type": "R(pim)",
"value": 0.743
},
{
"type": "Redundancy",
"value": 8.6
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
}
]
}