Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "492f6ff6988f39fab64a66da69e3d53c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.73,
"b": 74.39,
"c": 63.16,
"alpha": 90.00,
"beta": 96.57,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.960,1.680],
"number_observations": 131307,
"number_observations_unique": 39230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 9648,
"number_observations_unique": 2907,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.275
},
{
"type": "R(meas)",
"value": 1.523
},
{
"type": "R(pim)",
"value": 0.824
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.494
}
]
},
{
"resolution_limits": [47.960,7.510],
"number_observations": 1489,
"number_observations_unique": 432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 29.200
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}