Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "cf2451186bc831856a4cfa68a7fe5077",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.322,
"b": 83.219,
"c": 58.635,
"alpha": 90.00,
"beta": 108.39,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.230,1.550],
"number_observations": 401022,
"number_observations_unique": 69755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 6674,
"number_observations_unique": 2385,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.583
},
{
"type": "R(meas)",
"value": 1.971
},
{
"type": "R(pim)",
"value": 1.139
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 66.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
},
{
"resolution_limits": [46.230,8.490],
"number_observations": 2907,
"number_observations_unique": 469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 50.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}