Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "092bb6bbd3f206462d4750368cfc38d3",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 70.957,
"b": 70.957,
"c": 180.514,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.890,2.850],
"number_observations_unique": 11416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(meas)",
"value": 0.498
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations_unique": 1610,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.319
},
{
"type": "R(meas)",
"value": 2.473
},
{
"type": "R(pim)",
"value": 0.841
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.332
}
]
},
{
"resolution_limits": [45.890,9.010],
"number_observations_unique": 422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}