Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5a895bc33ad0220f3d5ed3556d7e482",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.737,
"b": 104.847,
"c": 81.495,
"alpha": 90.000,
"beta": 109.865,
"gamma": 90.000
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.27,1.60],
"number_observations_unique": 116814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [43.27,8.74],
"number_observations_unique": 404457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.62,1.60],
"number_observations_unique": 5022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "R(pim)",
"value": 0.309
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
}
]
}