Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c83b755d91d8db7c1b008bbf0f76ae96",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 57.563,
"b": 64.734,
"c": 127.475,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.020,3.060],
"number_observations": 125124,
"number_observations_unique": 9500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [3.270,3.060],
"number_observations": 21542,
"number_observations_unique": 1672,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.747
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
},
{
"resolution_limits": [43.020,8.660],
"number_observations": 5589,
"number_observations_unique": 483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}