Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "855a44bde961e7d823cc6fd9ce4a7369",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.29,
"b": 93.61,
"c": 93.42,
"alpha": 90.00,
"beta": 107.69,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.000,1.570],
"number_observations": 442845,
"number_observations_unique": 129720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 33356,
"number_observations_unique": 9638,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.208
},
{
"type": "R(meas)",
"value": 1.434
},
{
"type": "R(pim)",
"value": 0.763
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.535
}
]
},
{
"resolution_limits": [89.000,7.020],
"number_observations": 5336,
"number_observations_unique": 1505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 52.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}