Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af256a2e9a68c67d997f89f6b4579064",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.103,
"b": 47.910,
"c": 87.309,
"alpha": 90.00,
"beta": 94.39,
"gamma": 90.00
},
"wavelengths": [0.97890],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.910,2.000],
"number_observations_unique": 21816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 5700,
"number_observations_unique": 1585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [47.910,8.950],
"number_observations": 1027,
"number_observations_unique": 280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}