Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b0c49f0190bb10ab7da9896795e19dde",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.010,
"b": 45.376,
"c": 63.508,
"alpha": 90.00,
"beta": 111.45,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.110,1.470],
"number_observations": 1297695,
"number_observations_unique": 52165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.470],
"number_observations": 169367,
"number_observations_unique": 7545,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.263
},
{
"type": "R(meas)",
"value": 3.339
},
{
"type": "R(pim)",
"value": 0.695
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.400
},
{
"type": "CC(1/2)",
"value": 0.532
}
]
},
{
"resolution_limits": [59.110,4.660],
"number_observations": 39744,
"number_observations_unique": 1744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 34.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}