Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "186bf2e1f46369aa33379383428c1619",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.161,
"b": 118.845,
"c": 52.761,
"alpha": 90.00,
"beta": 116.78,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.080,2.280],
"number_observations": 93506,
"number_observations_unique": 24748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.280],
"number_observations": 8083,
"number_observations_unique": 2205,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.408
},
{
"type": "R(meas)",
"value": 1.646
},
{
"type": "R(pim)",
"value": 0.847
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.413
}
]
},
{
"resolution_limits": [47.080,8.850],
"number_observations": 1629,
"number_observations_unique": 449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 44.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}