Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b309b7b40deef17ddd44816fdf019b31",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 188.95,
"b": 188.95,
"c": 188.95,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,3.100],
"number_observations_unique": 40721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 19.840
},
{
"type": "Completeness",
"value": 99.600
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.100],
"number_observations": 94890,
"number_observations_unique": 5888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.827
},
{
"type": "I/SigI",
"value": 4.240
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.270,3.180],
"number_observations": 91674,
"number_observations_unique": 5669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.639
},
{
"type": "I/SigI",
"value": 5.450
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.360,3.270],
"number_observations": 89744,
"number_observations_unique": 5527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 6.980
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.470,3.360],
"number_observations": 87886,
"number_observations_unique": 5404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 8.770
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.580,3.470],
"number_observations": 84763,
"number_observations_unique": 5208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 10.490
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.710,3.580],
"number_observations": 83248,
"number_observations_unique": 5110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 12.840
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.850,3.710],
"number_observations": 78220,
"number_observations_unique": 4795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 15.230
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.850],
"number_observations": 76191,
"number_observations_unique": 4672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.180,4.000],
"number_observations": 74040,
"number_observations_unique": 4537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 21.250
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.380,4.180],
"number_observations": 70545,
"number_observations_unique": 4320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 23.730
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.620,4.380],
"number_observations": 66775,
"number_observations_unique": 4087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 28.180
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.900,4.620],
"number_observations": 62354,
"number_observations_unique": 3816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 29.260
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [5.240,4.900],
"number_observations": 60251,
"number_observations_unique": 3687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 29.450
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.660,5.240],
"number_observations": 54887,
"number_observations_unique": 3352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 27.640
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.200,5.660],
"number_observations": 51391,
"number_observations_unique": 3141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 29.680
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.930,6.200],
"number_observations": 45656,
"number_observations_unique": 2792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 32.680
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.000,6.930],
"number_observations": 40415,
"number_observations_unique": 2473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 40.220
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [9.800,8.000],
"number_observations": 34106,
"number_observations_unique": 2097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 51.890
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [13.860,9.800],
"number_observations": 26116,
"number_observations_unique": 1623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 57.210
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [20,13.860],
"number_observations": 9125,
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 52.090
},
{
"type": "Completeness",
"value": 66.000
}
]
}
]
}