Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86df04999501d3e147869343ed27130b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.029,
"b": 73.377,
"c": 90.608,
"alpha": 90.00,
"beta": 103.64,
"gamma": 90.00
},
"wavelengths": [1.00002],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.030,2.400],
"number_observations_unique": 23044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [2.530,2.400],
"number_observations_unique": 3365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "R(meas)",
"value": 1.021
},
{
"type": "R(pim)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [44.030,7.590],
"number_observations_unique": 734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}