Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "144587bd0952f424da5f65f4ed4dd52c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.28,
"b": 93.20,
"c": 154.27,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.770,2.640],
"number_observations": 71833,
"number_observations_unique": 18446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.780,2.640],
"number_observations": 9702,
"number_observations_unique": 2449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [79.770,8.350],
"number_observations": 2249,
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}