Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78fd5de1ad783afb7d1d3485f80d2b75",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.40,
"b": 58.15,
"c": 122.72,
"alpha": 90.00,
"beta": 94.03,
"gamma": 90.00
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [122.420,2.740],
"number_observations": 61005,
"number_observations_unique": 19091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 12.160
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.195
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.810,2.740],
"number_observations": 4692,
"number_observations_unique": 1406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "R(meas)",
"value": 0.762
},
{
"type": "I/SigI",
"value": 2.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.337
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [2.890,2.810],
"number_observations": 4665,
"number_observations_unique": 1395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "R(meas)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 2.570
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.344
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [2.970,2.890],
"number_observations": 4326,
"number_observations_unique": 1315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(meas)",
"value": 0.510
},
{
"type": "I/SigI",
"value": 2.940
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.290
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [3.060,2.970],
"number_observations": 4307,
"number_observations_unique": 1301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 3.610
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.311
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [3.170,3.060],
"number_observations": 4040,
"number_observations_unique": 1247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 4.680
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.240
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [3.280,3.170],
"number_observations": 3895,
"number_observations_unique": 1200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 5.770
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.246
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.400,3.280],
"number_observations": 3666,
"number_observations_unique": 1179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 7.750
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.109
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.540,3.400],
"number_observations": 3212,
"number_observations_unique": 1123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.860
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.700,3.540],
"number_observations": 3258,
"number_observations_unique": 1089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 11.630
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.992
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.880,3.700],
"number_observations": 3244,
"number_observations_unique": 1033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 12.930
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.140
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.090,3.880],
"number_observations": 3274,
"number_observations_unique": 980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 16.430
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.341
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.330,4.090],
"number_observations": 3132,
"number_observations_unique": 949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 20.880
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.630,4.330],
"number_observations": 2839,
"number_observations_unique": 866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.278
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.000,4.630],
"number_observations": 2666,
"number_observations_unique": 814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 24.370
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.275
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.480,5.000],
"number_observations": 2402,
"number_observations_unique": 758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 21.240
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.169
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.130,5.480],
"number_observations": 2089,
"number_observations_unique": 684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 20.620
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.054
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.080,6.130],
"number_observations": 1704,
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 20.680
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.807
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.670,7.080],
"number_observations": 1615,
"number_observations_unique": 520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 27.560
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.106
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [12.260,8.670],
"number_observations": 1310,
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 34.750
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.291
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [122.420,12.260],
"number_observations": 669,
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 40.460
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.947
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}