Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0ba0ca298043cc0b3971858df2be4298",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.278,
"b": 83.320,
"c": 58.773,
"alpha": 90.00,
"beta": 108.61,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.290,1.440],
"number_observations": 420676,
"number_observations_unique": 79359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.440],
"number_observations": 2697,
"number_observations_unique": 1594,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.008
},
{
"type": "R(meas)",
"value": 1.384
},
{
"type": "R(pim)",
"value": 0.943
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 35.600
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.381
}
]
},
{
"resolution_limits": [83.290,7.890],
"number_observations": 3693,
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 48.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}