Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a035b31278a0be1d242a760df960c2ec",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 122.246,
"b": 81.667,
"c": 126.555,
"alpha": 90.00,
"beta": 112.99,
"gamma": 90.00
},
"wavelengths": [0.97741],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.47,3.150],
"number_observations_unique": 39993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [3.280,3.150],
"number_observations": 16672,
"number_observations_unique": 4489,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.692
},
{
"type": "R(meas)",
"value": 1.972
},
{
"type": "R(pim)",
"value": 1.002
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.339
}
]
},
{
"resolution_limits": [47.420,11.360],
"number_observations": 3013,
"number_observations_unique": 885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}