Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b7b5a6d2ead746a2d83e239478eca7f",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 89.144,
"b": 37.792,
"c": 117.797,
"alpha": 90.00,
"beta": 98.27,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.110,2.990],
"number_observations": 36340,
"number_observations_unique": 7820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,2.990],
"number_observations": 5956,
"number_observations_unique": 1285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.829
},
{
"type": "R(meas)",
"value": 0.933
},
{
"type": "R(pim)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [44.110,8.980],
"number_observations": 1415,
"number_observations_unique": 329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}