Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "febea745544170d8f0cc417c3d46dc91",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.576,
"b": 47.727,
"c": 70.676,
"alpha": 90.00,
"beta": 90.89,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.560,1.370],
"number_observations": 380159,
"number_observations_unique": 62352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.370],
"number_observations_unique": 2875,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.670
},
{
"type": "R(meas)",
"value": 1.963
},
{
"type": "R(pim)",
"value": 1.000
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.307
}
]
},
{
"resolution_limits": [39.560,7.500],
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 51.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}