Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87cc561aa259e51853ab2e94d7dce356",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.079,
"b": 64.674,
"c": 74.309,
"alpha": 90.00,
"beta": 125.73,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.520,2.190],
"number_observations": 94051,
"number_observations_unique": 22933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.190],
"number_observations": 7644,
"number_observations_unique": 1904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "R(pim)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [47.520,9.040],
"number_observations": 1278,
"number_observations_unique": 346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}