Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf6d717d6b9c18a83fd5d9facd9d37eb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.98,
"b": 65.53,
"c": 84.29,
"alpha": 90.00,
"beta": 93.51,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.170,1.510],
"number_observations": 317333,
"number_observations_unique": 114622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.510],
"number_observations": 11015,
"number_observations_unique": 6792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "R(meas)",
"value": 0.948
},
{
"type": "R(pim)",
"value": 0.622
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 78.300
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.519
}
]
},
{
"resolution_limits": [59.170,6.750],
"number_observations": 4392,
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}