Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f0317e5600ff3a7f294b0b39f5dbbdbc",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.54,
"b": 81.54,
"c": 135.37,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.040,2.020],
"number_observations": 692340,
"number_observations_unique": 34849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.020],
"number_observations": 52013,
"number_observations_unique": 2523,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.162
},
{
"type": "R(meas)",
"value": 2.217
},
{
"type": "R(pim)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.600
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [39.040,9.030],
"number_observations": 6654,
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 52.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}