Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76ac46df896860b99c8a9555e0eef253",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 91.178,
"b": 91.178,
"c": 82.049,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91838,0.97922,0.97862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.916,1.85],
"number_observations_unique": 30125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 7.325
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.90,1.85],
"number_observations": 15742,
"number_observations_unique": 2199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.683
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [1.95,1.90],
"number_observations": 15154,
"number_observations_unique": 2118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.537
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [2.01,1.95],
"number_observations": 14907,
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [2.07,2.01],
"number_observations": 14491,
"number_observations_unique": 2019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [2.14,2.07],
"number_observations": 13936,
"number_observations_unique": 1955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [2.21,2.14],
"number_observations": 13631,
"number_observations_unique": 1905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [2.29,2.21],
"number_observations": 13009,
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [2.39,2.29],
"number_observations": 12631,
"number_observations_unique": 1782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [2.49,2.39],
"number_observations": 12083,
"number_observations_unique": 1705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [2.62,2.49],
"number_observations": 11443,
"number_observations_unique": 1629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [2.76,2.62],
"number_observations": 10863,
"number_observations_unique": 1551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [2.93,2.76],
"number_observations": 10256,
"number_observations_unique": 1479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [3.13,2.93],
"number_observations": 9599,
"number_observations_unique": 1390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [3.38,3.13],
"number_observations": 8828,
"number_observations_unique": 1298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [3.70,3.38],
"number_observations": 7947,
"number_observations_unique": 1209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [4.14,3.70],
"number_observations": 6869,
"number_observations_unique": 1101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [4.78,4.14],
"number_observations": 6358,
"number_observations_unique": 963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [5.85,4.78],
"number_observations": 5843,
"number_observations_unique": 843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 14.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [8.27,5.85],
"number_observations": 4515,
"number_observations_unique": 674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [28.92,8.27],
"number_observations": 2317,
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 20.7
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 5.90
}
]
}
]
}