Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b13abd51b15fb5d16e5a3c86bbb8655",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.96,
"b": 47.96,
"c": 85.87,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54780],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.8720,2.430],
"number_observations_unique": 7283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.520,2.430],
"number_observations": 1747,
"number_observations_unique": 755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [41.870,9.090],
"number_observations": 385,
"number_observations_unique": 144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}