Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4f82fe928500130ee29678d32f49145",
"space_group_name": "P 1",
"unit_cell": {
"a": 38.863,
"b": 51.763,
"c": 80.380,
"alpha": 103.76,
"beta": 92.64,
"gamma": 94.33
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.710,2.070],
"number_observations_unique": 35045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 3431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "R(meas)",
"value": 0.625
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [47.710,8.020],
"number_observations_unique": 628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}