Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e6a9f3bb109f4afd086a0737694190c",
"space_group_name": "P 1",
"unit_cell": {
"a": 47.928,
"b": 47.958,
"c": 72.148,
"alpha": 70.57,
"beta": 70.63,
"gamma": 90.10
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.90,1.45],
"number_observations_unique": 95381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 94.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.47,1.45],
"number_observations_unique": 4600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.727
},
{
"type": "R(meas)",
"value": 0.859
},
{
"type": "R(pim)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 93.1
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.752
}
]
},
{
"resolution_limits": [44.90,7.94],
"number_observations_unique": 585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 23.3
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}