Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "425db7adf955ce9fed67cc12b57d7c4b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.470,
"b": 72.741,
"c": 82.752,
"alpha": 90.000,
"beta": 102.684,
"gamma": 90.000
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.385,1.65],
"number_observations_unique": 52701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 13.2
},
{
"type": "Completeness",
"value": 88.8
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.69,1.65],
"number_observations_unique": 2636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.869
},
{
"type": "R(meas)",
"value": 0.935
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 92.8
},
{
"type": "CC(1/2)",
"value": 0.777
}
]
}
]
}