Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "73508ac49877a873c2121e3dc2d3a0b8",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 108.928,
"b": 108.928,
"c": 108.928,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.51,1.830],
"number_observations_unique": 38236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.830],
"number_observations": 58748,
"number_observations_unique": 2355,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.196
},
{
"type": "R(meas)",
"value": 4.282
},
{
"type": "R(pim)",
"value": 0.854
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.900
},
{
"type": "CC(1/2)",
"value": 0.439
}
]
},
{
"resolution_limits": [44.470,8.970],
"number_observations": 8409,
"number_observations_unique": 372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 69.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 22.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}