Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a387d36185ea6ff6bfe4b6ab47a2c32b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.896,
"b": 97.205,
"c": 125.898,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96861],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.870,1.849],
"number_observations_unique": 52193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.290
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 48999,
"number_observations_unique": 3771,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.411
},
{
"type": "R(meas)",
"value": 2.511
},
{
"type": "R(pim)",
"value": 0.694
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.597
}
]
},
{
"resolution_limits": [48.870,8.270],
"number_observations": 7824,
"number_observations_unique": 693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}