Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ad3ba3df6d872085a33261de6ff36ff",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.962,
"b": 52.752,
"c": 44.174,
"alpha": 90.00,
"beta": 102.99,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.050,1.810],
"number_observations": 83672,
"number_observations_unique": 23171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.810],
"number_observations": 4808,
"number_observations_unique": 1347,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.891
},
{
"type": "R(meas)",
"value": 2.226
},
{
"type": "R(pim)",
"value": 1.158
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.302
}
]
},
{
"resolution_limits": [55.050,9.050],
"number_observations": 781,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}