Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a4a2051d49acd9d3b76615be9502221",
"space_group_name": "P 65",
"unit_cell": {
"a": 129.376,
"b": 129.376,
"c": 111.931,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.500],
"number_observations_unique": 36788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.500],
"number_observations": 25007,
"number_observations_unique": 3697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.760
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations": 24988,
"number_observations_unique": 3642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.860
}
]
},
{
"resolution_limits": [2.820,2.690],
"number_observations": 25713,
"number_observations_unique": 3661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.020
}
]
},
{
"resolution_limits": [2.960,2.820],
"number_observations": 26241,
"number_observations_unique": 3656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.170
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations": 26707,
"number_observations_unique": 3660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.290
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations": 27391,
"number_observations_unique": 3697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.360
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations": 27261,
"number_observations_unique": 3677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.370
}
]
},
{
"resolution_limits": [4.270,3.730],
"number_observations": 27651,
"number_observations_unique": 3687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.420
}
]
},
{
"resolution_limits": [5.380,4.270],
"number_observations": 27857,
"number_observations_unique": 3690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.420
}
]
},
{
"resolution_limits": [29.940,5.380],
"number_observations": 28167,
"number_observations_unique": 3721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.340
}
]
}
]
}