Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f588ab6328ed235d61472d13c48be8f0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.572,
"b": 47.865,
"c": 75.287,
"alpha": 90.00,
"beta": 93.46,
"gamma": 90.00
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.860,2.200],
"number_observations_unique": 19239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 10689,
"number_observations_unique": 1638,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.193
},
{
"type": "R(meas)",
"value": 1.296
},
{
"type": "R(pim)",
"value": 0.502
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [41.860,9.070],
"number_observations": 1813,
"number_observations_unique": 301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}