Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e27e2176e22e8ef30b0ce3b3250ad60d",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 67.345,
"b": 131.346,
"c": 66.253,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.270,1.550],
"number_observations_unique": 78906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 9598,
"number_observations_unique": 2429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.487
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 58.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [47.230,8.510],
"number_observations": 3311,
"number_observations_unique": 602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}