Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b03036dd28e2622e6f4c74275168ed99",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 68.28,
"b": 68.28,
"c": 102.57,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.270,1.380],
"number_observations": 94374,
"number_observations_unique": 50131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.380],
"number_observations": 4052,
"number_observations_unique": 2138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [29.270,7.570],
"number_observations": 585,
"number_observations_unique": 383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.007
},
{
"type": "R(meas)",
"value": 0.010
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 41.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}