Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77c1169db5ffcd179b8a1a04701e0997",
"space_group_name": "P 1",
"unit_cell": {
"a": 73.776,
"b": 89.858,
"c": 91.533,
"alpha": 71.12,
"beta": 89.59,
"gamma": 85.96
},
"wavelengths": [0.96000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.800,2.200],
"number_observations": 406120,
"number_observations_unique": 104319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations": 20862,
"number_observations_unique": 5321,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.048
},
{
"type": "R(meas)",
"value": 1.216
},
{
"type": "R(pim)",
"value": 0.615
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [84.800,12.050],
"number_observations": 2418,
"number_observations_unique": 670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}