Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9d04fbed72c3bf2f1fc910b0fcd94272",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.131,
"b": 76.140,
"c": 63.234,
"alpha": 90.00,
"beta": 99.06,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.890,2.400],
"number_observations": 970649,
"number_observations_unique": 19943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 50.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 48.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 103002,
"number_observations_unique": 2071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 22.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 49.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [28.890,8.980],
"number_observations": 11910,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 82.200
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 31.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}