Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62193600a510fe8a756f6b24898db123",
"space_group_name": "P 1",
"unit_cell": {
"a": 41.79,
"b": 63.59,
"c": 76.07,
"alpha": 76.73,
"beta": 89.93,
"gamma": 89.79
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.040,3.000],
"number_observations": 41021,
"number_observations_unique": 12160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 79.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 7188,
"number_observations_unique": 2073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(meas)",
"value": 0.365
},
{
"type": "R(pim)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 83.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [74.040,9.000],
"number_observations": 1601,
"number_observations_unique": 475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 82.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
}
]
}