Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26c05624b898db985a8013b3f9dd1912",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.160,
"b": 70.579,
"c": 71.427,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.40000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.460,1.850],
"number_observations": 266847,
"number_observations_unique": 26688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 9787,
"number_observations_unique": 1328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "R(meas)",
"value": 0.758
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 81.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [46.460,9.070],
"number_observations": 2367,
"number_observations_unique": 279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 23.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}