Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9cfd9e7cd8fc747cee1c5ec1d9c0a3ff",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 89.53,
"b": 96.13,
"c": 114.24,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97780],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.530,2.950],
"number_observations": 73288,
"number_observations_unique": 20868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
"refln_shells": [
{
"resolution_limits": [3.130,2.950],
"number_observations": 12127,
"number_observations_unique": 3340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "R(meas)",
"value": 0.671
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [89.530,8.850],
"number_observations": 2721,
"number_observations_unique": 852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
}
]
}