Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "485c3cf83e56d8cec30ca89f86912be9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.261,
"b": 42.329,
"c": 73.328,
"alpha": 90.000,
"beta": 104.503,
"gamma": 90.000
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.357,1.514],
"number_observations_unique": 39398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.514],
"number_observations_unique": 1956,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.086
},
{
"type": "R(meas)",
"value": 2.358
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
}
]
}