Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23f7ed40e8589454bb03c0372e063b7c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.572,
"b": 113.018,
"c": 62.661,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.670,1.200],
"number_observations_unique": 91585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 55937,
"number_observations_unique": 4542,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.263
},
{
"type": "R(meas)",
"value": 3.408
},
{
"type": "R(pim)",
"value": 0.976
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.553
}
]
},
{
"resolution_limits": [66.670,6.570],
"number_observations": 7442,
"number_observations_unique": 646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 59.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}