Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f491c49104657777b8696116af25c5b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.81,
"b": 48.27,
"c": 108.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.04088],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.570],
"number_observations": 200891,
"number_observations_unique": 29179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 18.180
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 12993,
"number_observations_unique": 2147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.938
},
{
"type": "R(meas)",
"value": 1.032
},
{
"type": "I/SigI",
"value": 2.140
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [1.650,1.610],
"number_observations": 13522,
"number_observations_unique": 2035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.763
},
{
"type": "R(meas)",
"value": 0.829
},
{
"type": "I/SigI",
"value": 2.610
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.700,1.650],
"number_observations": 13515,
"number_observations_unique": 2014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.613
},
{
"type": "I/SigI",
"value": 3.450
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.760,1.700],
"number_observations": 13398,
"number_observations_unique": 1954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "R(meas)",
"value": 0.512
},
{
"type": "I/SigI",
"value": 4.190
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.810,1.760],
"number_observations": 13234,
"number_observations_unique": 1889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 5.250
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.880,1.810],
"number_observations": 13144,
"number_observations_unique": 1867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 6.480
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.950,1.880],
"number_observations": 12582,
"number_observations_unique": 1775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.030,1.950],
"number_observations": 12210,
"number_observations_unique": 1708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 11.820
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.120,2.030],
"number_observations": 11716,
"number_observations_unique": 1647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 14.980
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.220,2.120],
"number_observations": 11132,
"number_observations_unique": 1567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 18.990
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.340,2.220],
"number_observations": 10706,
"number_observations_unique": 1508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 21.870
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.480,2.340],
"number_observations": 10213,
"number_observations_unique": 1433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 24.940
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.650,2.480],
"number_observations": 9631,
"number_observations_unique": 1350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 27.730
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.870,2.650],
"number_observations": 8827,
"number_observations_unique": 1258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 31.930
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.140,2.870],
"number_observations": 8116,
"number_observations_unique": 1165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 37.200
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.510,3.140],
"number_observations": 7297,
"number_observations_unique": 1075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 46.610
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.050,3.510],
"number_observations": 6473,
"number_observations_unique": 942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 53.310
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.960,4.050],
"number_observations": 5588,
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 59.110
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [7.020,4.960],
"number_observations": 4412,
"number_observations_unique": 653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 54.450
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [30,7.020],
"number_observations": 2182,
"number_observations_unique": 375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 53.610
},
{
"type": "Completeness",
"value": 93.500
}
]
}
]
}