Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "952713d5849a9a6f4cb84afe0569c664",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.623,
"b": 33.322,
"c": 60.880,
"alpha": 90.00,
"beta": 96.54,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.530,1.380],
"number_observations": 182643,
"number_observations_unique": 30727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.380],
"number_observations": 6316,
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.382
},
{
"type": "R(meas)",
"value": 2.759
},
{
"type": "R(pim)",
"value": 1.356
},
{
"type": "I/SigI",
"value": 0.100
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.337
}
]
},
{
"resolution_limits": [33.530,7.300],
"number_observations": 1336,
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 43.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}