Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2e21595d315ad4b9fc33ba9b594f451",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 95.05,
"b": 121.74,
"c": 74.47,
"alpha": 90.00,
"beta": 119.49,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.431,1.892],
"number_observations_unique": 31874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 54.3
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.145,1.892],
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.006
},
{
"type": "R(meas)",
"value": 1.095
},
{
"type": "R(pim)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 8.7
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [68.431,6.257],
"number_observations_unique": 1594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 30.7
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}