Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "313766fa40fd8d3b424acc4963cef5d1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.100,
"b": 134.922,
"c": 86.584,
"alpha": 90.000,
"beta": 95.907,
"gamma": 90.000
},
"wavelengths": [0.61990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.66,2.75],
"number_observations_unique": 35584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [54.66,9.12],
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.88,2.75],
"number_observations_unique": 4565,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.442
},
{
"type": "R(meas)",
"value": 1.742
},
{
"type": "R(pim)",
"value": 0.964
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.389
}
]
}
]
}