Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c54e94f9cf738a02159a74f81de12c4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.723,
"b": 58.709,
"c": 101.894,
"alpha": 90.000,
"beta": 104.132,
"gamma": 90.000
},
"wavelengths": [0.89843],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.28,2.30],
"number_observations_unique": 41492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [70.28,8.91],
"number_observations_unique": 41473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.38,2.30],
"number_observations_unique": 4043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.957
},
{
"type": "R(meas)",
"value": 1.142
},
{
"type": "R(pim)",
"value": 0.617
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
}
]
}