Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b6a5665ceb6463dd41cc3cd61fb4c92b",
"space_group_name": "P 1",
"unit_cell": {
"a": 100.878,
"b": 102.859,
"c": 103.029,
"alpha": 91.13,
"beta": 117.16,
"gamma": 119.17
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.800,3.100],
"number_observations": 95733,
"number_observations_unique": 53693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
"refln_shells": [
{
"resolution_limits": [3.190,3.100],
"number_observations": 7439,
"number_observations_unique": 4293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.832
},
{
"type": "R(meas)",
"value": 1.177
},
{
"type": "R(pim)",
"value": 0.832
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.336
}
]
},
{
"resolution_limits": [45.800,13.140],
"number_observations": 1171,
"number_observations_unique": 646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}