Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "274802748131a0a9942505c12fcc6ade",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.165,
"b": 80.973,
"c": 224.022,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98011],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [112.0110,2.2360],
"number_observations_unique": 44350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.240],
"number_observations": 53728,
"number_observations_unique": 6359,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.448
},
{
"type": "R(meas)",
"value": 1.539
},
{
"type": "R(pim)",
"value": 0.518
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [112.010,7.070],
"number_observations": 11357,
"number_observations_unique": 1585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}