Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9fab0399a2ac4117f47bc9b4dc050795",
"space_group_name": "P 62",
"unit_cell": {
"a": 102.004,
"b": 102.004,
"c": 163.085,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.497],
"number_observations_unique": 33216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.497],
"number_observations_unique": 1633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 1656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 1648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 1638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 1681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [2.890,2.820],
"number_observations_unique": 1641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [2.960,2.890],
"number_observations_unique": 1670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [3.050,2.960],
"number_observations_unique": 1644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [3.150,3.050],
"number_observations_unique": 1654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [3.260,3.150],
"number_observations_unique": 1663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [3.390,3.260],
"number_observations_unique": 1681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [3.550,3.390],
"number_observations_unique": 1637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [3.730,3.550],
"number_observations_unique": 1660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [3.970,3.730],
"number_observations_unique": 1672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [4.270,3.970],
"number_observations_unique": 1686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [4.700,4.270],
"number_observations_unique": 1653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [5.380,4.700],
"number_observations_unique": 1680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [6.780,5.380],
"number_observations_unique": 1674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [50.000,6.780],
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.4
}
]
}
]
}