Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "073f142f8a5968618f3f350af3187a64",
"space_group_name": "P 43",
"unit_cell": {
"a": 52.39,
"b": 52.39,
"c": 223.35,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.700],
"number_observations": 278726,
"number_observations_unique": 65575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 15.88
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 4.25
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 12381,
"number_observations_unique": 2574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "R(meas)",
"value": 0.650
},
{
"type": "I/SigI",
"value": 2.04
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 2.59
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 12592,
"number_observations_unique": 2485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "R(meas)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 3.380
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations": 12879,
"number_observations_unique": 2435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 4.280
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 13207,
"number_observations_unique": 2370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 5.330
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 13474,
"number_observations_unique": 2302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 7.050
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 13879,
"number_observations_unique": 2247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 9.150
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.110,2.030],
"number_observations": 13954,
"number_observations_unique": 2158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 11.070
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.190,2.110],
"number_observations": 14043,
"number_observations_unique": 2087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 13.030
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.290,2.190],
"number_observations": 14295,
"number_observations_unique": 2001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 14.850
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations": 15780,
"number_observations_unique": 1920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 17.910
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.530,2.400],
"number_observations": 15849,
"number_observations_unique": 1825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 19.310
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.690,2.530],
"number_observations": 15820,
"number_observations_unique": 1748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 21.870
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.870,2.690],
"number_observations": 15968,
"number_observations_unique": 1663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 24.750
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 15918,
"number_observations_unique": 1548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 30.690
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.400,3.100],
"number_observations": 16876,
"number_observations_unique": 1416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 37.760
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.800,3.400],
"number_observations": 17564,
"number_observations_unique": 1315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 43.140
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.390,3.800],
"number_observations": 15672,
"number_observations_unique": 1183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 44.060
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [5.380,4.390],
"number_observations": 13010,
"number_observations_unique": 1010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 43.140
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [7.600,5.380],
"number_observations": 10183,
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 37.130
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50,7.600],
"number_observations": 5382,
"number_observations_unique": 513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 36.810
},
{
"type": "Completeness",
"value": 98.700
}
]
}
]
}