Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "16d335b9fd1153caef7693c2ff756ebd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.170,
"b": 87.142,
"c": 58.029,
"alpha": 90.00,
"beta": 96.06,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.852,2.210],
"number_observations_unique": 40703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 18.840
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 8.868
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.210],
"number_observations_unique": 4119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 4.550
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 3.355
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations_unique": 2214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 6.450
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.955
}
]
},
{
"resolution_limits": [2.510,2.410],
"number_observations_unique": 1870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 8.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.228
}
]
},
{
"resolution_limits": [2.610,2.510],
"number_observations_unique": 1605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 11.520
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.414
}
]
},
{
"resolution_limits": [3.000,2.610],
"number_observations_unique": 4433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 15.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.879
}
]
},
{
"resolution_limits": [3.390,3.000],
"number_observations_unique": 2636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 22.590
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.620
}
]
},
{
"resolution_limits": [3.780,3.390],
"number_observations_unique": 1642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 29.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.273
}
]
},
{
"resolution_limits": [4.170,3.780],
"number_observations_unique": 1099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 32.710
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.286
}
]
},
{
"resolution_limits": [4.560,4.170],
"number_observations_unique": 753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 37.170
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.255
}
]
},
{
"resolution_limits": [10.000,4.560],
"number_observations_unique": 2237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 38.580
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.372
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 45.420
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.593
}
]
},
{
"resolution_limits": [30.000,20.000],
"number_observations_unique": 21,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 46.230
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 8.476
}
]
},
{
"resolution_limits": [30.000,28.852],
"quality_factors": [
]
}
]
}