Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f1f7939f2021cfe558d05a82aeda81d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.060,
"b": 60.681,
"c": 100.342,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.060,1.950],
"number_observations": 261196,
"number_observations_unique": 20564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 19035,
"number_observations_unique": 1417,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.227
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [45.060,8.940],
"number_observations": 2514,
"number_observations_unique": 258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 57.900
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}