Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f761012b79e5221d9fba20767973d39",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 51.073,
"b": 83.664,
"c": 96.150,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11610],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.105,2.710],
"number_observations_unique": 11691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.840,2.710],
"number_observations": 19957,
"number_observations_unique": 1516,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.070
},
{
"type": "R(meas)",
"value": 3.194
},
{
"type": "R(pim)",
"value": 0.870
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.394
}
]
},
{
"resolution_limits": [45.100,8.990],
"number_observations": 4028,
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 35.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}