Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df4a4956ffb8154c9dbe1482cc6b6260",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 182.566,
"b": 60.445,
"c": 67.257,
"alpha": 90.00,
"beta": 94.67,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.490,2.220],
"number_observations": 249424,
"number_observations_unique": 36334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.220],
"number_observations": 22873,
"number_observations_unique": 3307,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.584
},
{
"type": "R(meas)",
"value": 1.713
},
{
"type": "R(pim)",
"value": 0.649
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.713
}
]
},
{
"resolution_limits": [45.490,8.880],
"number_observations": 3976,
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}