Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3aec3f2e054c211c8e08afb8dd3f88a2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 132.645,
"b": 57.519,
"c": 46.598,
"alpha": 90.00,
"beta": 98.76,
"gamma": 90.00
},
"wavelengths": [1.03316],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.540,1.490],
"number_observations": 172494,
"number_observations_unique": 52497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.490],
"number_observations": 249,
"number_observations_unique": 224,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.350
},
{
"type": "R(pim)",
"value": 2.350
},
{
"type": "I/SigI",
"value": 0.100
},
{
"type": "Completeness",
"value": 8.000
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [29.540,8.180],
"number_observations": 1051,
"number_observations_unique": 349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}