Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "e1b104456d35f7573ac991a07639bff8",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 124.759,
"b": 124.759,
"c": 137.221,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.31,3.12],
"number_observations_unique": 19914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.404
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [92.31,8.83],
"number_observations_unique": 1004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 21.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.34,3.12],
"number_observations_unique": 3529,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.175
},
{
"type": "R(meas)",
"value": 2.332
},
{
"type": "R(pim)",
"value": 0.839
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.7
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
}
]
}