Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7aa5c5e298feaa4b9e7d29223337fa92",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 73.728,
"b": 73.728,
"c": 170.276,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.050],
"number_observations": 293868,
"number_observations_unique": 29272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 1418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [2.120,2.090],
"number_observations_unique": 1419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.569
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [2.160,2.120],
"number_observations_unique": 1443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [2.210,2.160],
"number_observations_unique": 1443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [2.260,2.210],
"number_observations_unique": 1458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 1443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 1454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [2.430,2.370],
"number_observations_unique": 1435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [2.500,2.430],
"number_observations_unique": 1369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [2.580,2.500],
"number_observations_unique": 1457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [2.680,2.580],
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [2.780,2.680],
"number_observations_unique": 1474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [2.910,2.780],
"number_observations_unique": 1470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [3.060,2.910],
"number_observations_unique": 1502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [3.250,3.060],
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [3.510,3.250],
"number_observations_unique": 1505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [3.860,3.510],
"number_observations_unique": 1516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [4.420,3.860],
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [5.560,4.420],
"number_observations_unique": 1474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [50.000,5.560],
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 9.200
}
]
}
]
}