Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a4f222826a5bfdfcf48dad5d57d3312",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.52,
"b": 67.81,
"c": 40.23,
"alpha": 90.00,
"beta": 93.58,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.55,1.24],
"number_observations_unique": 58773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 31.5
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.27,1.24],
"number_observations_unique": 3484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 78.9
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}