Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5a4ad2149528f2fc4a2b81fa8c8d6b7",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.809,
"b": 88.809,
"c": 39.499,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.400,0.980],
"number_observations": 1079667,
"number_observations_unique": 175515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.000,0.980],
"number_observations": 26560,
"number_observations_unique": 7992,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.381
},
{
"type": "R(meas)",
"value": 1.635
},
{
"type": "R(pim)",
"value": 0.848
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.462
}
]
},
{
"resolution_limits": [44.400,5.370],
"number_observations": 8020,
"number_observations_unique": 1164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 50.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}