Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f42e795033cf447ac6a4c4df1f7410cc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.747,
"b": 74.158,
"c": 104.512,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.480,1.940],
"number_observations": 182894,
"number_observations_unique": 28735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 13.890
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.365
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.940],
"number_observations": 21622,
"number_observations_unique": 3219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "R(meas)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 3.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.717
}
]
},
{
"resolution_limits": [2.080,2.020],
"number_observations": 13921,
"number_observations_unique": 2088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 4.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.667
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations": 14306,
"number_observations_unique": 2179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.565
}
]
},
{
"resolution_limits": [2.220,2.150],
"number_observations": 11973,
"number_observations_unique": 1940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 6.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.172
}
]
},
{
"resolution_limits": [2.300,2.220],
"number_observations": 12211,
"number_observations_unique": 1882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 8.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.488
}
]
},
{
"resolution_limits": [2.390,2.300],
"number_observations": 12566,
"number_observations_unique": 1854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 9.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.778
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations": 11887,
"number_observations_unique": 1764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 10.370
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.739
}
]
},
{
"resolution_limits": [2.610,2.490],
"number_observations": 11861,
"number_observations_unique": 1793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 12.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.615
}
]
},
{
"resolution_limits": [2.740,2.610],
"number_observations": 10257,
"number_observations_unique": 1599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 14.230
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.415
}
]
},
{
"resolution_limits": [2.900,2.740],
"number_observations": 9482,
"number_observations_unique": 1579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 16.360
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.005
}
]
},
{
"resolution_limits": [3.090,2.900],
"number_observations": 9389,
"number_observations_unique": 1487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 20.110
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.314
}
]
},
{
"resolution_limits": [3.310,3.090],
"number_observations": 8506,
"number_observations_unique": 1345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 22.690
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.324
}
]
},
{
"resolution_limits": [3.600,3.310],
"number_observations": 7867,
"number_observations_unique": 1300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 25.240
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.052
}
]
},
{
"resolution_limits": [3.970,3.600],
"number_observations": 6698,
"number_observations_unique": 1162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 27.150
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.764
}
]
},
{
"resolution_limits": [4.500,3.970],
"number_observations": 5747,
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 28.560
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.381
}
]
},
{
"resolution_limits": [5.310,4.500],
"number_observations": 5770,
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 31.140
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.099
}
]
},
{
"resolution_limits": [6.800,5.310],
"number_observations": 4646,
"number_observations_unique": 777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 29.960
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.979
}
]
},
{
"resolution_limits": [10.960,6.800],
"number_observations": 3045,
"number_observations_unique": 553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 30.120
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.506
}
]
},
{
"resolution_limits": [60.480,10.960],
"number_observations": 1140,
"number_observations_unique": 200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 32.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
}
]
}