Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f26b3582bbce7d1a5be5aafc88c3a622",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.146,
"b": 41.334,
"c": 72.051,
"alpha": 90.00,
"beta": 104.32,
"gamma": 90.00
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.970,1.496],
"number_observations_unique": 38960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.500],
"number_observations_unique": 1870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "R(meas)",
"value": 0.558
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [31.970,8.190],
"number_observations_unique": 255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}