Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b20eda4bdd63bd261d2421f5ddf1539e",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 65.680,
"b": 65.680,
"c": 172.577,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.490,2.490],
"number_observations_unique": 13976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.490],
"number_observations": 12844,
"number_observations_unique": 1495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "R(meas)",
"value": 0.722
},
{
"type": "R(pim)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [46.440,8.970],
"number_observations": 2374,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 51.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}