Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c0012f2748da136ec4a55d732842054",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 76.606,
"b": 50.326,
"c": 52.652,
"alpha": 90.00,
"beta": 102.41,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.500,1.160],
"number_observations_unique": 67664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.180,1.160],
"number_observations": 17221,
"number_observations_unique": 3328,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.128
},
{
"type": "R(meas)",
"value": 1.261
},
{
"type": "R(pim)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [34.500,6.350],
"number_observations": 2738,
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}