Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "13f22fb0381a84d77557c366b6020278",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.54,
"b": 81.54,
"c": 135.39,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.040,2.180],
"number_observations": 551867,
"number_observations_unique": 27874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.180],
"number_observations": 41284,
"number_observations_unique": 2030,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.303
},
{
"type": "R(meas)",
"value": 2.361
},
{
"type": "R(pim)",
"value": 0.517
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.300
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [39.040,9.750],
"number_observations": 5216,
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 48.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}