Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5b8275dd1e8da63b72fd99f14016b0f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.499,
"b": 67.636,
"c": 138.588,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.570,2.210],
"number_observations": 218930,
"number_observations_unique": 32608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.210],
"number_observations": 19434,
"number_observations_unique": 2769,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.968
},
{
"type": "R(meas)",
"value": 3.206
},
{
"type": "R(pim)",
"value": 1.204
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.384
}
]
},
{
"resolution_limits": [138.570,9.110],
"number_observations": 3059,
"number_observations_unique": 559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
}
]
}