Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f4974ed4af3b398b6f70625ce850405",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 192.812,
"b": 57.640,
"c": 57.660,
"alpha": 90.0,
"beta": 107.4,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.060,1.800],
"number_observations_unique": 55911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 20456,
"number_observations_unique": 3174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.919
},
{
"type": "R(meas)",
"value": 0.996
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [55.000,9.000],
"number_observations": 3309,
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}