Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2d4a4cece6085744dd6c769aa8566c6d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.482,
"b": 84.367,
"c": 59.019,
"alpha": 90.00,
"beta": 108.17,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.360,1.390],
"number_observations": 434464,
"number_observations_unique": 82304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 79.500
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.390],
"number_observations": 1289,
"number_observations_unique": 1046,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.002
},
{
"type": "R(meas)",
"value": 1.390
},
{
"type": "R(pim)",
"value": 0.961
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 20.600
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.507
}
]
},
{
"resolution_limits": [84.360,7.610],
"number_observations": 4256,
"number_observations_unique": 670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 120.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}