Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bfc6bc020b450bf884f3fbe87efc1983",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.153,
"b": 41.470,
"c": 72.050,
"alpha": 90.00,
"beta": 103.84,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.140,1.3560],
"number_observations_unique": 52421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.360],
"number_observations": 10901,
"number_observations_unique": 2403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.556
},
{
"type": "R(meas)",
"value": 0.630
},
{
"type": "R(pim)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.780
}
]
},
{
"resolution_limits": [32.140,7.430],
"number_observations": 2197,
"number_observations_unique": 352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 80.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}