Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1154d10708b5b763bedec3f8fb39b7dd",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.879,
"b": 53.720,
"c": 63.589,
"alpha": 114.926,
"beta": 100.263,
"gamma": 90.020
},
"wavelengths": [0.98012],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.589,1.49],
"number_observations_unique": 81151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 94.4
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
"refln_shells": [
{
"resolution_limits": [48.54,8.17],
"number_observations_unique": 526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.52,1.49],
"number_observations_unique": 3013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.936
},
{
"type": "R(meas)",
"value": 5.913
},
{
"type": "R(pim)",
"value": 4.181
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.101
}
]
}
]
}