Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5d2a2991069d5da8dd1e789323847aa9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 78.286,
"b": 46.326,
"c": 64.066,
"alpha": 90.00,
"beta": 94.66,
"gamma": 90.00
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.013,1.3],
"number_observations_unique": 56318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [39.013,3.527],
"number_observations_unique": 2918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.322,1.3],
"number_observations_unique": 2742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.526
},
{
"type": "R(meas)",
"value": 0.586
},
{
"type": "R(pim)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 98
},
{
"type": "Redundancy",
"value": 5
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
}
]
}