Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd78c4d63df8598db3c90fb27ca32feb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.698,
"b": 82.054,
"c": 77.947,
"alpha": 90.0,
"beta": 104.6,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.850],
"number_observations_unique": 56819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations_unique": 2834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.764
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.920,1.880],
"number_observations_unique": 2823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.616
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.950,1.920],
"number_observations_unique": 2843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.519
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [1.990,1.950],
"number_observations_unique": 2788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.040,1.990],
"number_observations_unique": 2846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.080,2.040],
"number_observations_unique": 2820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.140,2.080],
"number_observations_unique": 2823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 2845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.260,2.190],
"number_observations_unique": 2805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.330,2.260],
"number_observations_unique": 2841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.410,2.330],
"number_observations_unique": 2844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.510,2.410],
"number_observations_unique": 2854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.630,2.510],
"number_observations_unique": 2832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.760,2.630],
"number_observations_unique": 2832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.940,2.760],
"number_observations_unique": 2833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [3.160,2.940],
"number_observations_unique": 2863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [3.480,3.160],
"number_observations_unique": 2838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.990,3.480],
"number_observations_unique": 2863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [5.020,3.990],
"number_observations_unique": 2872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [50.000,5.020],
"number_observations_unique": 2920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
}
]
}
]
}