Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a175b7c8f4e353a5b59e7be33ef59a3a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.133,
"b": 86.441,
"c": 126.976,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.800,1.890],
"number_observations": 272892,
"number_observations_unique": 41363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.890],
"number_observations": 17723,
"number_observations_unique": 2852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.854
},
{
"type": "R(meas)",
"value": 0.931
},
{
"type": "R(pim)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [29.800,8.450],
"number_observations": 3329,
"number_observations_unique": 543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 72.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}