Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ebb0f8b3d23adea3b90f49e18bef041",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.469,
"b": 81.526,
"c": 227.154,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [113.580,2.490],
"number_observations": 274693,
"number_observations_unique": 33380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.620,2.490],
"number_observations": 39347,
"number_observations_unique": 4779,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.230
},
{
"type": "R(meas)",
"value": 1.314
},
{
"type": "R(pim)",
"value": 0.457
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
},
{
"resolution_limits": [113.580,7.860],
"number_observations": 8830,
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 49.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}