Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "950ed337286e84b41ce195b0d5bf32f7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 190.421,
"b": 46.652,
"c": 70.781,
"alpha": 90.00,
"beta": 101.01,
"gamma": 90.00
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.264,2.785],
"number_observations_unique": 15615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.833,2.785],
"number_observations_unique": 780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.659
},
{
"type": "R(meas)",
"value": 0.741
},
{
"type": "R(pim)",
"value": 0.334
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.81
},
{
"type": "CC(1/2)",
"value": 0.7079
}
]
},
{
"resolution_limits": [45.264,7.550],
"number_observations_unique": 831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.51
},
{
"type": "CC(1/2)",
"value": 0.9967
}
]
}
]
}