Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ee25ca2c1a2354cbf8a48d1e91125ac",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.280,
"b": 88.280,
"c": 39.168,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91258],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.270,1.030],
"number_observations": 746156,
"number_observations_unique": 145132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.050,1.030],
"number_observations": 9891,
"number_observations_unique": 5378,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.834
},
{
"type": "R(meas)",
"value": 2.395
},
{
"type": "R(pim)",
"value": 1.515
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 74.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.345
}
]
},
{
"resolution_limits": [88.270,5.640],
"number_observations": 6645,
"number_observations_unique": 982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}