Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9f80db894d1ec0e488549b6e406cc54",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 80.57,
"b": 80.57,
"c": 134.76,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98570],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.470,1.550],
"number_observations": 1649781,
"number_observations_unique": 74838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.550],
"number_observations": 75645,
"number_observations_unique": 3655,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.716
},
{
"type": "R(meas)",
"value": 4.834
},
{
"type": "R(pim)",
"value": 1.056
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.700
},
{
"type": "CC(1/2)",
"value": 0.274
}
]
},
{
"resolution_limits": [48.470,8.460],
"number_observations": 9358,
"number_observations_unique": 542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 44.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 17.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}