Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc3879d4c0b6b542b4bdb8993de906d2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.226,
"b": 60.434,
"c": 65.249,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.710,1.690],
"number_observations": 140173,
"number_observations_unique": 21675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.690],
"number_observations": 8610,
"number_observations_unique": 1543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.853
},
{
"type": "R(meas)",
"value": 0.943
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [28.710,7.560],
"number_observations": 1584,
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 54.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}