Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd28cd18eb80e683ba295cd02cd600e5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 95.035,
"b": 96.092,
"c": 109.930,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.2,1.76],
"number_observations_unique": 76128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 76.7
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.88,1.76],
"number_observations_unique": 3849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.968
},
{
"type": "R(meas)",
"value": 1.019
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 22.2
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.655
}
]
},
{
"resolution_limits": [35.2,5.36],
"number_observations_unique": 3798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 38.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}