Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e01d1cd6889b89f6fa770222bb3f8e71",
"space_group_name": "P 62 2 2",
"unit_cell": {
"a": 101.894,
"b": 101.894,
"c": 114.369,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00530],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.990,2.400],
"number_observations": 145849,
"number_observations_unique": 14302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 15486,
"number_observations_unique": 1467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.674
},
{
"type": "R(meas)",
"value": 0.709
},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [47.990,8.980],
"number_observations": 2743,
"number_observations_unique": 343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 52.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}