Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "230e97a74cb3d059b97148904e8e4c07",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.327,
"b": 46.744,
"c": 173.913,
"alpha": 90.00,
"beta": 108.17,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.620,2.000],
"number_observations": 215058,
"number_observations_unique": 66250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.897
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.231
}
]
},
{
"resolution_limits": [82.620,9.380],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}