Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a852c0b47c784584f12eaef8e37e8ef9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.891,
"b": 120.839,
"c": 152.643,
"alpha": 90.000,
"beta": 93.401,
"gamma": 90.000
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.084,3.20],
"number_observations_unique": 44297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [67.99,11.97],
"number_observations_unique": 881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [3.32,3.20],
"number_observations_unique": 4601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "R(meas)",
"value": 0.586
},
{
"type": "R(pim)",
"value": 0.308
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
}
]
}