Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "094d4b339ffcce5258468553226d9101",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.401,
"b": 69.078,
"c": 117.835,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.590,2.080],
"number_observations": 56095,
"number_observations_unique": 12538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.080],
"number_observations": 3489,
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.322
},
{
"type": "R(meas)",
"value": 1.502
},
{
"type": "R(pim)",
"value": 0.695
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.440
}
]
},
{
"resolution_limits": [59.590,9.060],
"number_observations": 730,
"number_observations_unique": 181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}