Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "795fd878defbb7787d7f786ef6afd1e0",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 77.60,
"b": 77.60,
"c": 97.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.373,1.900],
"number_observations_unique": 27087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 46.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.488
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 1946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 5.450
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.848
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 1931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 6.150
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.510
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations_unique": 1862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.975
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations_unique": 1816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 12.410
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.877
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations_unique": 1771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 14.860
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.897
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations_unique": 1742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.687
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations_unique": 1629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 23.320
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.546
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations_unique": 1583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 29.850
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.806
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations_unique": 1527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 39.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 14.406
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations_unique": 1492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 44.560
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.387
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations_unique": 1390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 54.640
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 14.484
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations_unique": 1316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 60.470
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 14.487
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations_unique": 1276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 69.250
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 14.472
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations_unique": 1150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 84.260
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.552
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations_unique": 1078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 99.350
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 14.338
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations_unique": 986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 113.210
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 14.319
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations_unique": 875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 135.570
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.123
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 126.460
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.090
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations_unique": 602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 131.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.608
}
]
},
{
"resolution_limits": [39.373,8.500],
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 150.560
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 12.084
}
]
}
]
}