Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5d217569e62b9762970757c967af20ce",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.904,
"b": 101.728,
"c": 146.025,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.670,2.270],
"number_observations": 206543,
"number_observations_unique": 31106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.270],
"number_observations": 18366,
"number_observations_unique": 2803,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.113
},
{
"type": "R(meas)",
"value": 3.384
},
{
"type": "R(pim)",
"value": 1.310
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.228
}
]
},
{
"resolution_limits": [48.670,9.080],
"number_observations": 3467,
"number_observations_unique": 577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}