Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "83751204bae124241e8765e8d407fcf3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 65.351,
"b": 83.121,
"c": 107.842,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [107.84,2.30],
"number_observations_unique": 25847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 22.7
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.38,2.30],
"number_observations_unique": 2570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.927
},
{
"type": "R(meas)",
"value": 0.968
},
{
"type": "R(pim)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.0
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [107.84,8.91],
"number_observations_unique": 543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 87.1
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}