Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a49340b785671c977980391b3cf2647",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 67.396,
"b": 131.782,
"c": 66.517,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.89429],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.160,1.390],
"number_observations_unique": 117101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.390],
"number_observations": 27824,
"number_observations_unique": 5581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.751
},
{
"type": "R(meas)",
"value": 0.838
},
{
"type": "R(pim)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.700
}
]
},
{
"resolution_limits": [47.120,7.620],
"number_observations": 3375,
"number_observations_unique": 833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 41.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}