Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "131b942591af7e17cc10d0faba940d2f",
"space_group_name": "P 1",
"unit_cell": {
"a": 33.004,
"b": 33.028,
"c": 41.338,
"alpha": 93.92,
"beta": 103.17,
"gamma": 118.33
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.390,1.350],
"number_observations": 105451,
"number_observations_unique": 30273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 4731,
"number_observations_unique": 1508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.832
},
{
"type": "R(meas)",
"value": 1.001
},
{
"type": "R(pim)",
"value": 0.549
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [39.390,7.390],
"number_observations": 733,
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 48.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}