Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7051b127eb2f600f9ee9f67de65bbd37",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 52.57,
"b": 149.82,
"c": 78.24,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.95,1.610],
"number_observations": 176577,
"number_observations_unique": 38967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.610],
"number_observations": 14687,
"number_observations_unique": 3890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.750
}
]
},
{
"resolution_limits": [1.730,1.670],
"number_observations": 15422,
"number_observations_unique": 3891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.940
}
]
},
{
"resolution_limits": [1.810,1.730],
"number_observations": 16583,
"number_observations_unique": 3921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.190
}
]
},
{
"resolution_limits": [1.910,1.810],
"number_observations": 17389,
"number_observations_unique": 3906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.410
}
]
},
{
"resolution_limits": [2.030,1.910],
"number_observations": 17718,
"number_observations_unique": 3930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.450
}
]
},
{
"resolution_limits": [2.180,2.030],
"number_observations": 18364,
"number_observations_unique": 3943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.620
}
]
},
{
"resolution_limits": [2.400,2.180],
"number_observations": 18755,
"number_observations_unique": 3914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.770
}
]
},
{
"resolution_limits": [2.750,2.400],
"number_observations": 18985,
"number_observations_unique": 3897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.850
}
]
},
{
"resolution_limits": [3.460,2.750],
"number_observations": 19275,
"number_observations_unique": 3865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 36.800
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.960
}
]
},
{
"resolution_limits": [19.560,3.460],
"number_observations": 19399,
"number_observations_unique": 3810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 61.700
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 5.040
}
]
}
]
}