Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "aa63c1cc8106a2230edccb012a7a8466",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.772,
"b": 79.178,
"c": 55.525,
"alpha": 90.00,
"beta": 107.57,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.01,1.55],
"number_observations_unique": 118749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.6
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.58,1.55],
"number_observations_unique": 2868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.488
},
{
"type": "R(meas)",
"value": 0.560
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.739
}
]
}
]
}