Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "bb43c664dab09896fe6299e2629f7913",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.520,
"b": 83.386,
"c": 59.016,
"alpha": 90.00,
"beta": 108.17,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.390,1.340],
"number_observations": 431687,
"number_observations_unique": 77409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 27.100
},
{
"type": "Completeness",
"value": 67.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 250,
"number_observations_unique": 242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 4.300
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [83.390,7.340],
"number_observations": 4703,
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 75.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}