Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c81a890c2d9c39d149f995a00fa1c9f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 143.774,
"b": 143.552,
"c": 76.888,
"alpha": 90.00,
"beta": 97.85,
"gamma": 90.00
},
"wavelengths": [1.03323],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [101.110,2.670],
"number_observations": 298842,
"number_observations_unique": 43735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.820,2.670],
"number_observations": 44479,
"number_observations_unique": 6348,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.789
},
{
"type": "R(meas)",
"value": 1.931
},
{
"type": "R(pim)",
"value": 0.724
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.428
}
]
},
{
"resolution_limits": [101.110,8.450],
"number_observations": 8943,
"number_observations_unique": 1411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}