Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79578cc4d569807831ee05b9f4a543a2",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 37.340,
"b": 94.479,
"c": 53.689,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.240,1.590],
"number_observations": 253117,
"number_observations_unique": 13052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.590],
"number_observations": 11735,
"number_observations_unique": 616,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.376
},
{
"type": "R(meas)",
"value": 2.440
},
{
"type": "R(pim)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.769
}
]
},
{
"resolution_limits": [47.240,8.730],
"number_observations": 1691,
"number_observations_unique": 105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 106.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 16.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}