Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1397f1d29c294a66b252b0137a59256a",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 53.272,
"b": 53.272,
"c": 113.051,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [13.810,2.000],
"number_observations_unique": 12897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 1824,
"number_observations_unique": 933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "R(meas)",
"value": 0.606
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 1.70
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.596
}
]
},
{
"resolution_limits": [13.810,8.940],
"number_observations": 233,
"number_observations_unique": 117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 30.400
},
{
"type": "Completeness",
"value": 68.400
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}