Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3d3f6305ae026c71785e28a4d90eb79",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.951,
"b": 49.447,
"c": 114.739,
"alpha": 90.00,
"beta": 94.96,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.300,1.970],
"number_observations": 223464,
"number_observations_unique": 64274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 16747,
"number_observations_unique": 4675,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.566
},
{
"type": "R(meas)",
"value": 1.844
},
{
"type": "R(pim)",
"value": 0.966
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.283
}
]
},
{
"resolution_limits": [114.300,8.820],
"number_observations": 2454,
"number_observations_unique": 796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 56.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
}
]
}