Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "37a787fa76f8ab5cd2330d6c51c02f74",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.926,
"b": 64.460,
"c": 74.638,
"alpha": 90.00,
"beta": 125.83,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.810,1.880],
"number_observations": 148115,
"number_observations_unique": 35094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.880],
"number_observations": 5986,
"number_observations_unique": 1447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "R(meas)",
"value": 0.654
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 59.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [34.810,9.020],
"number_observations": 1232,
"number_observations_unique": 331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 38.500
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}