Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd5ac9280aee194e60e440373cf89831",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 76.729,
"b": 101.810,
"c": 126.859,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.400,2.550],
"number_observations": 72632,
"number_observations_unique": 15929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.550],
"number_observations": 10528,
"number_observations_unique": 2289,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.770
},
{
"type": "R(meas)",
"value": 1.981
},
{
"type": "R(pim)",
"value": 0.868
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.380
}
]
},
{
"resolution_limits": [79.400,8.060],
"number_observations": 2358,
"number_observations_unique": 527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}