Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7bc5d08dec97c680ea7d56d4d7ac2414",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.673,
"b": 71.673,
"c": 150.769,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.500,1.370],
"number_observations": 1064051,
"number_observations_unique": 83125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.370],
"number_observations": 43129,
"number_observations_unique": 3897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.865
},
{
"type": "R(meas)",
"value": 0.906
},
{
"type": "R(pim)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [29.500,7.500],
"number_observations": 7341,
"number_observations_unique": 622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 56.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}