Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62dcb7d3b6e178432a0925e3ce1ccfea",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.621,
"b": 68.456,
"c": 138.650,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.730,2.050],
"number_observations": 279962,
"number_observations_unique": 41249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 22047,
"number_observations_unique": 3107,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.208
},
{
"type": "R(meas)",
"value": 4.540
},
{
"type": "R(pim)",
"value": 1.692
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.337
}
]
},
{
"resolution_limits": [138.730,8.930],
"number_observations": 3305,
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 35.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
}
]
}