Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bace1e0f96bf624c87661986c5abf4d5",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 105.111,
"b": 105.111,
"c": 72.198,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.570,2.190],
"number_observations": 111944,
"number_observations_unique": 18914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 78.900
},
{
"type": "Redundancy",
"value": 5.870
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.190],
"number_observations": 444,
"number_observations_unique": 325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.698
},
{
"type": "R(meas)",
"value": 0.980
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 14.000
},
{
"type": "Redundancy",
"value": 1.370
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations": 1686,
"number_observations_unique": 938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.737
},
{
"type": "R(meas)",
"value": 0.990
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 39.500
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [2.470,2.360],
"number_observations": 3214,
"number_observations_unique": 1433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.759
},
{
"type": "R(meas)",
"value": 0.966
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 61.100
},
{
"type": "Redundancy",
"value": 2.240
}
]
},
{
"resolution_limits": [2.600,2.470],
"number_observations": 5681,
"number_observations_unique": 1944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.785
},
{
"type": "R(meas)",
"value": 0.946
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 81.500
},
{
"type": "Redundancy",
"value": 2.920
}
]
},
{
"resolution_limits": [2.760,2.600],
"number_observations": 9506,
"number_observations_unique": 2286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.821
},
{
"type": "R(meas)",
"value": 0.940
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 4.110
}
]
},
{
"resolution_limits": [2.970,2.760],
"number_observations": 16612,
"number_observations_unique": 2362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.846
},
{
"type": "R(meas)",
"value": 0.914
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.030
}
]
},
{
"resolution_limits": [3.270,2.970],
"number_observations": 18191,
"number_observations_unique": 2369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.774
},
{
"type": "R(meas)",
"value": 0.830
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.670
}
]
},
{
"resolution_limits": [3.750,3.270],
"number_observations": 18351,
"number_observations_unique": 2384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.695
},
{
"type": "R(meas)",
"value": 0.751
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.560
}
]
},
{
"resolution_limits": [4.720,3.750],
"number_observations": 18713,
"number_observations_unique": 2403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [56.570,4.720],
"number_observations": 19546,
"number_observations_unique": 2470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.840
}
]
}
]
}