Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7bd47f1c1440863599bb40a213239421",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 135.546,
"b": 72.095,
"c": 224.230,
"alpha": 90.00,
"beta": 90.84,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.910,3.100],
"number_observations": 267256,
"number_observations_unique": 39721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [3.230,3.100],
"number_observations": 31362,
"number_observations_unique": 4432,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.000
},
{
"type": "R(meas)",
"value": 1.079
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [38.910,11.180],
"number_observations": 5697,
"number_observations_unique": 889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}