Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f6eb34855e4f63317b910911c86c3693",
"space_group_name": "P 41",
"unit_cell": {
"a": 67.746,
"b": 67.746,
"c": 70.061,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97887,0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.800],
"number_observations_unique": 29408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations_unique": 1443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.860,1.830],
"number_observations_unique": 1432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 1470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 1473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [1.980,1.940],
"number_observations_unique": 1453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [2.080,2.030],
"number_observations_unique": 1440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.400
}
]
},
{
"resolution_limits": [2.130,2.080],
"number_observations_unique": 1495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.800
}
]
},
{
"resolution_limits": [2.200,2.130],
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.000
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 1474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
{
"resolution_limits": [2.350,2.270],
"number_observations_unique": 1468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.200
}
]
},
{
"resolution_limits": [2.440,2.350],
"number_observations_unique": 1451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.300
}
]
},
{
"resolution_limits": [2.550,2.440],
"number_observations_unique": 1455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.200
}
]
},
{
"resolution_limits": [2.690,2.550],
"number_observations_unique": 1498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.200
}
]
},
{
"resolution_limits": [2.860,2.690],
"number_observations_unique": 1468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
{
"resolution_limits": [3.080,2.860],
"number_observations_unique": 1472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.800
}
]
},
{
"resolution_limits": [3.390,3.080],
"number_observations_unique": 1500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
}
]
},
{
"resolution_limits": [3.880,3.390],
"number_observations_unique": 1471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
}
]
},
{
"resolution_limits": [4.890,3.880],
"number_observations_unique": 1501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
}
]
},
{
"resolution_limits": [100.000,4.890],
"number_observations_unique": 1503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 13.700
}
]
}
]
}