Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d65089954af82477d05b42aacfd7646b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 136.925,
"b": 78.203,
"c": 280.425,
"alpha": 90.00,
"beta": 91.57,
"gamma": 90.00
},
"wavelengths": [0.96861],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.290,1.82],
"number_observations_unique": 247996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations": 93464,
"number_observations_unique": 12170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.924
},
{
"type": "R(meas)",
"value": 0.990
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [27.290,10.130],
"number_observations": 12120,
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}