Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35d5aac2ad6ca5f943c7077b0a84ba5c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.825,
"b": 57.384,
"c": 166.865,
"alpha": 90.00,
"beta": 91.07,
"gamma": 90.00
},
"wavelengths": [0.97935],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.3600,2.090],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 98.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.090],
"number_observations": 58007,
"number_observations_unique": 14484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 2.510
},
{
"type": "Completeness",
"value": 90.700
}
]
},
{
"resolution_limits": [2.370,2.220],
"number_observations": 85048,
"number_observations_unique": 14815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 4.730
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.560,2.370],
"number_observations": 80991,
"number_observations_unique": 13855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 7.310
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.810,2.560],
"number_observations": 75514,
"number_observations_unique": 12803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 10.630
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.140,2.810],
"number_observations": 67343,
"number_observations_unique": 11526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 16.290
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.620,3.140],
"number_observations": 58793,
"number_observations_unique": 10126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 24.140
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.430,3.620],
"number_observations": 48195,
"number_observations_unique": 8647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 34.370
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [6.230,4.430],
"number_observations": 36837,
"number_observations_unique": 6597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 37.740
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [48.3600,6.230],
"number_observations": 21077,
"number_observations_unique": 3727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 41.660
},
{
"type": "Completeness",
"value": 99.800
}
]
}
]
}