Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a5c6069b5a09c0eede97b585023fa30",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 89.146,
"b": 76.153,
"c": 116.839,
"alpha": 90.00,
"beta": 95.47,
"gamma": 90.00
},
"wavelengths": [0.99985],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.646,2.410],
"number_observations_unique": 59837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 9.890
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.913
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.410],
"number_observations": 24285,
"number_observations_unique": 4203,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.011
},
{
"type": "R(meas)",
"value": 1.109
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 5.778
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [2.540,2.470],
"number_observations": 26432,
"number_observations_unique": 4321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.856
},
{
"type": "R(meas)",
"value": 0.935
},
{
"type": "I/SigI",
"value": 2.250
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.117
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [2.620,2.540],
"number_observations": 25181,
"number_observations_unique": 4181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "I/SigI",
"value": 2.860
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.023
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [2.700,2.620],
"number_observations": 23994,
"number_observations_unique": 4057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.604
},
{
"type": "R(meas)",
"value": 0.662
},
{
"type": "I/SigI",
"value": 3.120
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.914
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [2.790,2.700],
"number_observations": 22124,
"number_observations_unique": 3942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.562
},
{
"type": "I/SigI",
"value": 3.480
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.612
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [2.880,2.790],
"number_observations": 21903,
"number_observations_unique": 3772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 4.160
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.807
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.990,2.880],
"number_observations": 22993,
"number_observations_unique": 3713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 5.190
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.193
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.110,2.990],
"number_observations": 21793,
"number_observations_unique": 3507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 7.150
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.214
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.250,3.110],
"number_observations": 20941,
"number_observations_unique": 3419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 8.760
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.125
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.410,3.250],
"number_observations": 19789,
"number_observations_unique": 3260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 11.110
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.070
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.600,3.410],
"number_observations": 17301,
"number_observations_unique": 3090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 13.510
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.599
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.810,3.600],
"number_observations": 16675,
"number_observations_unique": 2933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.685
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.080,3.810],
"number_observations": 17062,
"number_observations_unique": 2772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.155
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.400,4.080],
"number_observations": 15471,
"number_observations_unique": 2567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 20.620
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.027
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.820,4.400],
"number_observations": 13907,
"number_observations_unique": 2373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 22.250
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.861
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.390,4.820],
"number_observations": 11749,
"number_observations_unique": 2146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 20.380
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.475
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.230,5.390],
"number_observations": 10937,
"number_observations_unique": 1893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 19.960
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.778
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.630,6.230],
"number_observations": 9785,
"number_observations_unique": 1629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 21.420
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.007
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [10.790,7.630],
"number_observations": 6945,
"number_observations_unique": 1270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 24.430
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.469
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.646,10.790],
"number_observations": 4066,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 22.760
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.776
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}