Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e331ccb8ecb6aee56546646596d2cfda",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.41,
"b": 71.71,
"c": 73.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.460,1.820],
"number_observations": 138901,
"number_observations_unique": 22349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.820],
"number_observations": 10276,
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.708
},
{
"type": "R(meas)",
"value": 1.856
},
{
"type": "R(pim)",
"value": 0.721
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
},
{
"resolution_limits": [26.460,8.140],
"number_observations": 1564,
"number_observations_unique": 292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 33.600
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}