Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3ffdd368e14f10c315c4a54d6ee4bdc3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.535,
"b": 66.284,
"c": 207.527,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54184],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.72,2.54],
"number_observations_unique": 22445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.65,2.54],
"number_observations_unique": 2708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "R(meas)",
"value": 0.657
},
{
"type": "R(pim)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [22.72,8.78],
"number_observations_unique": 550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 89.3
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}