Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ab3bbcc6806d44e8bca356f73f96517",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 85.827,
"b": 82.407,
"c": 101.570,
"alpha": 90.00,
"beta": 108.11,
"gamma": 90.00
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.76,2.260],
"number_observations_unique": 63274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 4381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.488
},
{
"type": "R(meas)",
"value": 0.599
},
{
"type": "R(pim)",
"value": 0.332
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [2.31,2.26],
"number_observations_unique": 706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
}
]
}