Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f032151152f7df97a1a1b79dd59e0e8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 167.849,
"b": 223.467,
"c": 193.032,
"alpha": 90.0,
"beta": 100.3,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.270,2.960],
"number_observations": 1103679,
"number_observations_unique": 145165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [3.010,2.960],
"number_observations": 55348,
"number_observations_unique": 7181,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.687
},
{
"type": "R(meas)",
"value": 5.025
},
{
"type": "R(pim)",
"value": 1.807
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.272
}
]
},
{
"resolution_limits": [49.270,16.210],
"number_observations": 5650,
"number_observations_unique": 876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}