Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87a2191117a8083f250295756986d009",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 36.842,
"b": 36.842,
"c": 141.378,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546,2.75520],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.651,1.13],
"number_observations_unique": 37218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 17.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.153,1.133],
"number_observations_unique": 1840,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.384
},
{
"type": "R(meas)",
"value": 2.470
},
{
"type": "R(pim)",
"value": 0.631
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [1.83,1.80],
"number_observations_unique": 458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
}
]
}