Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b5b946ad9aabc80dac860814bb145d5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.575,
"b": 36.527,
"c": 73.551,
"alpha": 90.00,
"beta": 91.25,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.999,1.9],
"number_observations_unique": 25893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 94.5
},
{
"type": "Redundancy",
"value": 7.4
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.94,1.9],
"number_observations_unique": 1666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.785
},
{
"type": "R(meas)",
"value": 0.907
},
{
"type": "R(pim)",
"value": 0.460
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 7.6
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
}
]
}