Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f7602c7ebd552e48fa3f787ccb5fe8d3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.270,
"b": 144.404,
"c": 63.405,
"alpha": 90.00,
"beta": 99.92,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.200,1.790],
"number_observations_unique": 163847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.790],
"number_observations": 36833,
"number_observations_unique": 10819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "R(meas)",
"value": 0.451
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 78.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [72.200,5.670],
"number_observations": 8987,
"number_observations_unique": 2896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}