Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d39d2df27bb81249aa4fa612e37c59dc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.500,
"b": 94.314,
"c": 96.247,
"alpha": 90.000,
"beta": 97.372,
"gamma": 90.000
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.20],
"number_observations_unique": 66164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.27,2.20],
"number_observations_unique": 3011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(meas)",
"value": 0.511
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
}
]
}