Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68b81c6d9e0704ac7ab7f724281bbc3f",
"space_group_name": "P 1",
"unit_cell": {
"a": 63.95,
"b": 75.30,
"c": 78.39,
"alpha": 95.15,
"beta": 113.14,
"gamma": 93.84
},
"wavelengths": [1.03321],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.5300,2.100],
"number_observations_unique": 75667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 26508,
"number_observations_unique": 4474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.673
},
{
"type": "R(meas)",
"value": 0.739
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [71.500,10.500],
"number_observations": 4127,
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}