Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "446fb869f651b27293667b71a261f231",
"space_group_name": "P 31",
"unit_cell": {
"a": 39.084,
"b": 39.084,
"c": 154.671,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.93400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.65],
"number_observations_unique": 30044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 31.8
},
{
"type": "Completeness",
"value": 94.6
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.68,1.65],
"number_observations_unique": 956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 59.9
},
{
"type": "Redundancy",
"value": 1.6
}
]
},
{
"resolution_limits": [1.71,1.68],
"number_observations_unique": 1431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 89.5
},
{
"type": "Redundancy",
"value": 2.0
}
]
},
{
"resolution_limits": [1.74,1.71],
"number_observations_unique": 1545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.36
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [1.78,1.74],
"number_observations_unique": 1640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [1.82,1.78],
"number_observations_unique": 1517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
{
"resolution_limits": [1.86,1.82],
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [1.9,1.86],
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [1.96,1.9],
"number_observations_unique": 1642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.12
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [2.01,1.96],
"number_observations_unique": 1530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 18.4
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [2.08,2.01],
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 22.7
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [2.15,2.08],
"number_observations_unique": 1629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 25.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.24,2.15],
"number_observations_unique": 1545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 28.5
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.34,2.24],
"number_observations_unique": 1597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 33.5
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.46,2.34],
"number_observations_unique": 1583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 35.0
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.62,2.46],
"number_observations_unique": 1596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 31.7
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.82,2.62],
"number_observations_unique": 1572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 32.5
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [3.11,2.82],
"number_observations_unique": 1564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 42.0
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [3.55,3.11],
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 39.7
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [4.48,3.55],
"number_observations_unique": 1269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 38.0
},
{
"type": "Completeness",
"value": 80.9
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
{
"resolution_limits": [50.0,4.48],
"number_observations_unique": 1125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 38.0
},
{
"type": "Completeness",
"value": 70.1
},
{
"type": "Redundancy",
"value": 3.1
}
]
}
]
}