Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "130a5c30da0fb36fefb8aeb62a3551e6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 99.953,
"b": 71.289,
"c": 221.234,
"alpha": 90.00,
"beta": 102.71,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.980,3.970],
"number_observations": 97186,
"number_observations_unique": 13201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.904
},
{
"type": "R(pim)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
"refln_shells": [
{
"resolution_limits": [4.430,3.970],
"number_observations": 15417,
"number_observations_unique": 3545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.926
},
{
"type": "R(pim)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.735
}
]
},
{
"resolution_limits": [49.980,8.870],
"number_observations": 10005,
"number_observations_unique": 1246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
}
]
}