Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "154ab6fb4f2916e570e0c96b946f7e75",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 175.474,
"b": 175.474,
"c": 175.474,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.240,2.420],
"number_observations": 607758,
"number_observations_unique": 34115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 17.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.520,2.420],
"number_observations": 60369,
"number_observations_unique": 3524,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.060
},
{
"type": "R(meas)",
"value": 4.182
},
{
"type": "R(pim)",
"value": 0.993
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 17.100
},
{
"type": "CC(1/2)",
"value": 0.528
}
]
},
{
"resolution_limits": [39.240,9.070],
"number_observations": 12763,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 46.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}