Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9194d4f928a01d9f542e796ae7e9821a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.853,
"b": 75.087,
"c": 165.134,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.35,2.55],
"number_observations_unique": 15881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 91.9
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [68.35,8.08],
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 21.1
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.77,2.55],
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.682
},
{
"type": "R(meas)",
"value": 1.803
},
{
"type": "R(pim)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 63.1
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
}
]
}