Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "761e26db2044a45c45f856de04235844",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.040,
"b": 49.508,
"c": 115.578,
"alpha": 90.00,
"beta": 94.74,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.220,2.020],
"number_observations": 208638,
"number_observations_unique": 60354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.020],
"number_observations": 16293,
"number_observations_unique": 4571,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.249
},
{
"type": "R(meas)",
"value": 1.473
},
{
"type": "R(pim)",
"value": 0.775
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.332
}
]
},
{
"resolution_limits": [115.220,8.810],
"number_observations": 2479,
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 61.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
}
]
}