Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3fbde6295cb10148c959d0cdbc1341d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 73.502,
"b": 31.951,
"c": 65.414,
"alpha": 90.00,
"beta": 121.82,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.720,1.850],
"number_observations": 40255,
"number_observations_unique": 11082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 2575,
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "R(meas)",
"value": 0.494
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [36.720,9.060],
"number_observations": 304,
"number_observations_unique": 102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 53.800
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}