Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04a1fff0c674adc5f3cd8b28049887c9",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 45.013,
"b": 57.447,
"c": 130.649,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54184],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.70,1.90],
"number_observations": 329002,
"number_observations_unique": 27340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 31.5
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 12.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.94,1.90],
"number_observations": 14289,
"number_observations_unique": 1736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
}
]
}