Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "6c402ed44be95fbc64654a63d993cac9",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 80.422,
"b": 80.422,
"c": 212.044,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.31,2.10],
"number_observations_unique": 41683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [44.31,8.91],
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 34.3
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 19.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.16,2.10],
"number_observations_unique": 3338,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.151
},
{
"type": "R(meas)",
"value": 1.239
},
{
"type": "R(pim)",
"value": 0.450
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
}
]
}