Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eba7a6375c819e2d691dfd0b86ccfd42",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.176,
"b": 88.772,
"c": 53.042,
"alpha": 90.000,
"beta": 110.269,
"gamma": 90.000
},
"wavelengths": [0.77500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.113,1.319],
"number_observations_unique": 100500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [47.07,7.23],
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 34.0
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.34,1.32],
"number_observations_unique": 4919,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.285
},
{
"type": "R(meas)",
"value": 1.510
},
{
"type": "R(pim)",
"value": 0.784
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
}
]
}