Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9438b832ea4d3e2cb3f48ffe47ce5be",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.24,
"b": 73.09,
"c": 66.24,
"alpha": 90.00,
"beta": 100.38,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.640,2.000],
"number_observations": 226046,
"number_observations_unique": 30683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 16222,
"number_observations_unique": 2248,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.247
},
{
"type": "R(pim)",
"value": 0.896
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.102
}
]
},
{
"resolution_limits": [48.640,8.940],
"number_observations": 2588,
"number_observations_unique": 370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 43.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}