Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "895eef5dc092fe04a61f8772698483de",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.469,
"b": 112.883,
"c": 102.897,
"alpha": 90.00,
"beta": 97.21,
"gamma": 90.00
},
"wavelengths": [0.99986],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.390,2.400],
"number_observations_unique": 50511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.530,2.400],
"number_observations_unique": 7245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.837
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.791
}
]
},
{
"resolution_limits": [49.390,7.590],
"number_observations_unique": 1662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}