Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "afcb4f94cc8fbf35329edaa11bbab76c",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.316,
"b": 95.316,
"c": 45.859,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.320,1.270],
"number_observations": 572959,
"number_observations_unique": 51186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.270],
"number_observations": 6897,
"number_observations_unique": 1663,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.566
},
{
"type": "R(meas)",
"value": 1.794
},
{
"type": "R(pim)",
"value": 0.849
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 63.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.313
}
]
},
{
"resolution_limits": [41.320,6.960],
"number_observations": 4453,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 94.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}