Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "653315e0843464966c6e4ee3f02a9813",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.013,
"b": 55.665,
"c": 84.895,
"alpha": 90.000,
"beta": 95.148,
"gamma": 90.000
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.55,1.70],
"number_observations_unique": 59866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [84.55,9.00],
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 3151,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.101
},
{
"type": "R(meas)",
"value": 1.303
},
{
"type": "R(pim)",
"value": 0.688
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.736
}
]
}
]
}