Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9871553afe8451cce3af805f502b4848",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 36.788,
"b": 47.267,
"c": 79.344,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.270,1.810],
"number_observations": 106102,
"number_observations_unique": 12778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.810],
"number_observations": 1909,
"number_observations_unique": 605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "R(meas)",
"value": 0.593
},
{
"type": "R(pim)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 78.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.651
}
]
},
{
"resolution_limits": [47.270,9.050],
"number_observations": 1240,
"number_observations_unique": 139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}