Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e39988e1dc241fd9aebe1f2735232bad",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.482,
"b": 118.103,
"c": 165.125,
"alpha": 90.00,
"beta": 90.05,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.37,2.00],
"number_observations": 1047170,
"number_observations_unique": 133861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.03,2.00],
"number_observations": 28083,
"number_observations_unique": 6265,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.178
},
{
"type": "R(meas)",
"value": 4.760
},
{
"type": "R(pim)",
"value": 2.234
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.297
}
]
}
]
}