Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c6530e49cfecc5e8e9745cbc355a8a73",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.71,
"b": 45.62,
"c": 83.74,
"alpha": 90.00,
"beta": 101.84,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.980,1.940],
"number_observations": 114710,
"number_observations_unique": 32518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.940],
"number_observations": 8544,
"number_observations_unique": 2443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.659
},
{
"type": "R(meas)",
"value": 0.779
},
{
"type": "R(pim)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.716
}
]
},
{
"resolution_limits": [40.980,8.680],
"number_observations": 1415,
"number_observations_unique": 414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 36.600
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}