Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59b6d9d8c74a8e6a6bac2a82c0fc2a0e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 97.468,
"b": 38.280,
"c": 124.690,
"alpha": 90.00,
"beta": 103.54,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations": 169968,
"number_observations_unique": 30567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 11.250
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.561
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 1927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.673
},
{
"type": "R(meas)",
"value": 0.752
},
{
"type": "I/SigI",
"value": 2.260
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 4.651
}
]
},
{
"resolution_limits": [2.100,2.050],
"number_observations_unique": 2203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "R(meas)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 3.110
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.967
}
]
},
{
"resolution_limits": [2.170,2.100],
"number_observations_unique": 2128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "R(meas)",
"value": 0.461
},
{
"type": "I/SigI",
"value": 3.880
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.128
}
]
},
{
"resolution_limits": [2.230,2.170],
"number_observations_unique": 2079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 4.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.309
}
]
},
{
"resolution_limits": [2.300,2.230],
"number_observations_unique": 2014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 6.210
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.449
}
]
},
{
"resolution_limits": [2.390,2.300],
"number_observations_unique": 1999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 5.910
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.557
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 1846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 7.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.741
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 1843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 8.250
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.812
}
]
},
{
"resolution_limits": [2.690,2.580],
"number_observations_unique": 1763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 10.320
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.955
}
]
},
{
"resolution_limits": [2.820,2.690],
"number_observations_unique": 1645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 12.270
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.965
}
]
},
{
"resolution_limits": [2.980,2.820],
"number_observations_unique": 1612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 14.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.935
}
]
},
{
"resolution_limits": [3.160,2.980],
"number_observations_unique": 1523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 16.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.909
}
]
},
{
"resolution_limits": [3.370,3.160],
"number_observations_unique": 1409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 18.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.829
}
]
},
{
"resolution_limits": [3.640,3.370],
"number_observations_unique": 1318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 20.470
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.714
}
]
},
{
"resolution_limits": [3.990,3.640],
"number_observations_unique": 1254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 22.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.705
}
]
},
{
"resolution_limits": [4.460,3.990],
"number_observations_unique": 1112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 23.130
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.692
}
]
},
{
"resolution_limits": [5.150,4.460],
"number_observations_unique": 987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 24.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.792
}
]
},
{
"resolution_limits": [6.310,5.150],
"number_observations_unique": 853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.848
}
]
},
{
"resolution_limits": [8.930,6.310],
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 24.550
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.733
}
]
},
{
"resolution_limits": [50.000,8.930],
"number_observations_unique": 388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 25.660
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.418
}
]
}
]
}