Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "edf804dce038e5f27a9be1f6d4a4c3bd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.54,
"b": 79.84,
"c": 96.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.300,1.090],
"number_observations": 1351352,
"number_observations_unique": 175007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.110,1.090],
"number_observations": 62240,
"number_observations_unique": 8598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "R(meas)",
"value": 0.568
},
{
"type": "R(pim)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [48.300,5.970],
"number_observations": 13409,
"number_observations_unique": 1234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 45.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}