Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "978ed7244a1cd238acd8b76aecfb8065",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 65.998,
"b": 89.786,
"c": 99.892,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.390,1.570],
"number_observations": 296077,
"number_observations_unique": 37638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.570],
"number_observations": 32077,
"number_observations_unique": 5484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "R(meas)",
"value": 0.646
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [33.390,4.980],
"number_observations": 9907,
"number_observations_unique": 1171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 46.200
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}