Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b088aea4ee29d53d26b13d01f3be1ea",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 79.124,
"b": 79.124,
"c": 137.997,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.620,1.960],
"number_observations": 100672,
"number_observations_unique": 18579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,1.960],
"number_observations": 9732,
"number_observations_unique": 3056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(meas)",
"value": 0.489
},
{
"type": "R(pim)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [48.620,5.550],
"number_observations": 5106,
"number_observations_unique": 927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 53.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}