Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cef85069bcfc3f7eb68af00edfdb6b01",
"space_group_name": "P 41 3 2",
"unit_cell": {
"a": 164.32,
"b": 164.32,
"c": 164.32,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07197],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.560,2.70],
"number_observations_unique": 21401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 32.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.83,2.70],
"number_observations_unique": 1517,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.825
},
{
"type": "R(meas)",
"value": 4.908
},
{
"type": "R(pim)",
"value": 0.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 30
},
{
"type": "CC(1/2)",
"value": 0.332
}
]
},
{
"resolution_limits": [49.560,12.170],
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 23.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}