Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4dfc945f0fe4e9b537ce414aa5c65560",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 60.42,
"b": 98.28,
"c": 83.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.47,1.30],
"number_observations_unique": 61289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [51.47,7.12],
"number_observations_unique": 432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 44.2
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 10.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.32,1.30],
"number_observations_unique": 3001,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.232
},
{
"type": "R(meas)",
"value": 2.420
},
{
"type": "R(pim)",
"value": 0.931
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
}
]
}