Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c66d86cf169e7c567ec78d08f98f6d4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.376,
"b": 57.176,
"c": 53.937,
"alpha": 90.00,
"beta": 111.94,
"gamma": 90.00
},
"wavelengths": [1.42700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [14.4,1.450],
"number_observations_unique": 43405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.53,1.45],
"number_observations": 32871,
"number_observations_unique": 6338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [1.62,1.53],
"number_observations": 31329,
"number_observations_unique": 5966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.73,1.62],
"number_observations": 30079,
"number_observations_unique": 5633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.87,1.73],
"number_observations": 28102,
"number_observations_unique": 5210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [2.05,1.87],
"number_observations": 26463,
"number_observations_unique": 4828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [2.29,2.05],
"number_observations": 24193,
"number_observations_unique": 4370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [2.65,2.29],
"number_observations": 21593,
"number_observations_unique": 3863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [3.24,2.65],
"number_observations": 18476,
"number_observations_unique": 3273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [4.59,3.24],
"number_observations": 14369,
"number_observations_unique": 2547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [19.06,4.59],
"number_observations": 7568,
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 96.50
},
{
"type": "Redundancy",
"value": 5.50
}
]
}
]
}