Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7db92fa29048b9fd1967b98b6f5e91b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.390,
"b": 85.526,
"c": 152.051,
"alpha": 90.00,
"beta": 90.97,
"gamma": 90.00
},
"wavelengths": [0.96863],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.381,2.750],
"number_observations_unique": 38827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.750],
"number_observations": 17068,
"number_observations_unique": 4789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.922
},
{
"type": "R(meas)",
"value": 1.080
},
{
"type": "R(pim)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.604
}
]
},
{
"resolution_limits": [61.380,9.530],
"number_observations": 3302,
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}