Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a19e7bb53bf04db4bfe8e13aada4903a",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.01,
"b": 82.01,
"c": 135.20,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.240,2.230],
"number_observations": 495048,
"number_observations_unique": 25344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.230],
"number_observations": 15167,
"number_observations_unique": 1003,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.179
},
{
"type": "R(meas)",
"value": 1.225
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 51.500
},
{
"type": "Redundancy",
"value": 15.100
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [39.240,9.970],
"number_observations": 4891,
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}