Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b9f948771576d6342d5e2c3eef52c7e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 91.98,
"b": 44.08,
"c": 74.58,
"alpha": 90.0,
"beta": 127.8,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.200],
"number_observations_unique": 11974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 19.010
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 3955,
"number_observations_unique": 868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 81.300
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations": 5463,
"number_observations_unique": 859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 95.100
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations": 5779,
"number_observations_unique": 804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.460,2.390],
"number_observations": 6077,
"number_observations_unique": 850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations": 5734,
"number_observations_unique": 802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 13.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.630,2.540],
"number_observations": 5526,
"number_observations_unique": 765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 13.9
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [2.730,2.630],
"number_observations": 5348,
"number_observations_unique": 745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 16.0
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations": 5235,
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 17.4
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations": 4920,
"number_observations_unique": 682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 17.5
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.110,2.970],
"number_observations": 4807,
"number_observations_unique": 671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 18.9
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.280,3.110],
"number_observations": 4391,
"number_observations_unique": 613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 22.6
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.480,3.280],
"number_observations": 4281,
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 25.9
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.720,3.480],
"number_observations": 3923,
"number_observations_unique": 566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 26.9
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [4.020,3.720],
"number_observations": 3634,
"number_observations_unique": 516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 30.2
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [4.400,4.020],
"number_observations": 3433,
"number_observations_unique": 487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 31.1
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [4.920,4.400],
"number_observations": 3144,
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 30.2
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [5.680,4.920],
"number_observations": 2819,
"number_observations_unique": 390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 27.8
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [6.960,5.680],
"number_observations": 2330,
"number_observations_unique": 326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 27.6
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [9.840,6.960],
"number_observations": 1872,
"number_observations_unique": 267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 31.5
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [50,9.840],
"number_observations": 968,
"number_observations_unique": 152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 31.5
},
{
"type": "Completeness",
"value": 96.200
}
]
}
]
}