Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "160949f626b6080eb7e5ccfc3b0dd977",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 106.482,
"b": 106.482,
"c": 106.482,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.850],
"number_observations_unique": 34535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations_unique": 1692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.883
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.920,1.880],
"number_observations_unique": 1731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.687
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.950,1.920],
"number_observations_unique": 1705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.556
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.990,1.950],
"number_observations_unique": 1682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.040,1.990],
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.080,2.040],
"number_observations_unique": 1754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.140,2.080],
"number_observations_unique": 1686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 1718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.260,2.190],
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.330,2.260],
"number_observations_unique": 1707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.410,2.330],
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.510,2.410],
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.620,2.510],
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.760,2.620],
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.940,2.760],
"number_observations_unique": 1741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.160,2.940],
"number_observations_unique": 1723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.480,3.160],
"number_observations_unique": 1739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.980,3.480],
"number_observations_unique": 1754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [5.020,3.980],
"number_observations_unique": 1775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [40.000,5.020],
"number_observations_unique": 1828,
"quality_factors": [
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.500
}
]
}
]
}