Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b24a0e4d5ef286651f1e7779d246f762",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 143.18,
"b": 143.18,
"c": 143.18,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.89842],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.62,2.40],
"number_observations_unique": 19240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 41.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [50.62,8.98],
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 71.3
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 39.5
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.49,2.40],
"number_observations_unique": 1999,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.998
},
{
"type": "R(meas)",
"value": 6.140
},
{
"type": "R(pim)",
"value": 1.310
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 42.8
},
{
"type": "CC(1/2)",
"value": 0.564
}
]
}
]
}