Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3824fc03e2a24639aa2c96a248a9475e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.238,
"b": 64.533,
"c": 64.685,
"alpha": 90.00,
"beta": 90.88,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.680,2.000],
"number_observations": 159500,
"number_observations_unique": 35098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 11018,
"number_observations_unique": 2534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [45.680,8.950],
"number_observations": 1722,
"number_observations_unique": 412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 34.500
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}