Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b0b131caa722d52e7abacd7fb6bff51",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.893,
"b": 78.322,
"c": 81.550,
"alpha": 90.00,
"beta": 107.97,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.16,1.70],
"number_observations_unique": 72542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 15.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 3022,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.070
},
{
"type": "R(meas)",
"value": 2.793
},
{
"type": "R(pim)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.790
}
]
},
{
"resolution_limits": [39.16,9.00],
"number_observations_unique": 411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 75.2
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
}
]
}