Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3efcce8dd19e4426fba7d83b01b8b09",
"space_group_name": "P 1",
"unit_cell": {
"a": 29.480,
"b": 30.041,
"c": 46.450,
"alpha": 93.06,
"beta": 100.28,
"gamma": 94.72
},
"wavelengths": [1.57800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.5940,2.490],
"number_observations_unique": 5238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.490],
"number_observations": 1032,
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [45.590,8.990],
"number_observations": 228,
"number_observations_unique": 116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}