Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4ded314a4541bcdcc46619790c2bd1ea",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.1,
"b": 143.0,
"c": 73.6,
"alpha": 90.00,
"beta": 107.74,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.500,2.800],
"number_observations_unique": 32570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 23756,
"number_observations_unique": 4723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.789
},
{
"type": "R(meas)",
"value": 0.903
},
{
"type": "R(pim)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.474
}
]
},
{
"resolution_limits": [71.500,8.850],
"number_observations": 5123,
"number_observations_unique": 1066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}