Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d41e63bc0260c7b822b5a23f6f41c77e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.82,
"b": 50.55,
"c": 93.26,
"alpha": 90.00,
"beta": 99.68,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.822,2.220],
"number_observations_unique": 28924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 97.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.220],
"number_observations": 4514,
"number_observations_unique": 2016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 93.300
}
]
},
{
"resolution_limits": [2.340,2.280],
"number_observations": 5099,
"number_observations_unique": 2086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.410,2.340],
"number_observations": 5079,
"number_observations_unique": 2087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.490,2.410],
"number_observations": 4458,
"number_observations_unique": 1863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 94.700
}
]
},
{
"resolution_limits": [2.570,2.490],
"number_observations": 4720,
"number_observations_unique": 1919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.660,2.570],
"number_observations": 4728,
"number_observations_unique": 1912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.760,2.660],
"number_observations": 4368,
"number_observations_unique": 1768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.870,2.760],
"number_observations": 3706,
"number_observations_unique": 1594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 91.100
}
]
},
{
"resolution_limits": [3.000,2.870],
"number_observations": 4142,
"number_observations_unique": 1664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.150,3.000],
"number_observations": 4001,
"number_observations_unique": 1607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.320,3.150],
"number_observations": 3787,
"number_observations_unique": 1523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 18.2
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.520,3.320],
"number_observations": 3579,
"number_observations_unique": 1436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 21.6
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.760,3.520],
"number_observations": 3354,
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 25.8
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [4.060,3.760],
"number_observations": 3176,
"number_observations_unique": 1269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 27.6
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [4.450,4.060],
"number_observations": 2903,
"number_observations_unique": 1159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 29.8
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [4.970,4.450],
"number_observations": 2648,
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 30.1
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [5.740,4.970],
"number_observations": 2353,
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 27.4
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [7.030,5.740],
"number_observations": 1962,
"number_observations_unique": 782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 23.9
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [9.950,7.030],
"number_observations": 1545,
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 32.3
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [19.822,9.950],
"number_observations": 690,
"number_observations_unique": 283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 41.0
},
{
"type": "Completeness",
"value": 76.500
}
]
}
]
}