Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60ead09334788bc2a0d1f3857773c6a1",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.748,
"b": 72.085,
"c": 73.042,
"alpha": 92.53,
"beta": 103.69,
"gamma": 100.39
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.000],
"number_observations": 456229,
"number_observations_unique": 76633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,2.000],
"number_observations": 16182,
"number_observations_unique": 4472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.984
},
{
"type": "R(meas)",
"value": 1.157
},
{
"type": "R(pim)",
"value": 0.604
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.513
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 3776,
"number_observations_unique": 541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 86.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}