Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60fc42b60a26db1b2a6ac9447ac31aa4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.533,
"b": 79.242,
"c": 111.579,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.100,1.850],
"number_observations": 532167,
"number_observations_unique": 46633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 33768,
"number_observations_unique": 2858,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.564
},
{
"type": "R(meas)",
"value": 1.636
},
{
"type": "R(pim)",
"value": 0.478
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [48.100,9.060],
"number_observations": 4512,
"number_observations_unique": 470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}