Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1faa705684a415bb379537d41fdb7ae6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.072,
"b": 110.957,
"c": 164.982,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.0662,1.776],
"number_observations_unique": 92937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.776],
"number_observations": 24060,
"number_observations_unique": 4367,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.159
},
{
"type": "R(meas)",
"value": 4.591
},
{
"type": "R(pim)",
"value": 1.908
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.458
}
]
},
{
"resolution_limits": [39.060,9.730],
"number_observations": 7508,
"number_observations_unique": 658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 45.900
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}