Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e50c0351df193c23e3f8c553cc121d1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.369,
"b": 67.212,
"c": 59.991,
"alpha": 90.00,
"beta": 98.81,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.120,1.690],
"number_observations": 152607,
"number_observations_unique": 42227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations": 3659,
"number_observations_unique": 1429,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.105
},
{
"type": "R(meas)",
"value": 2.651
},
{
"type": "R(pim)",
"value": 1.574
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 63.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.189
}
]
},
{
"resolution_limits": [35.120,9.080],
"number_observations": 1073,
"number_observations_unique": 295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 39.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}