Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "203ee87f6a42f4f58df225c9d01dc9a9",
"space_group_name": "P 61",
"unit_cell": {
"a": 99.147,
"b": 99.147,
"c": 81.761,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,2.050],
"number_observations": 107497,
"number_observations_unique": 28509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.120,2.090],
"number_observations_unique": 1417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.623
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.160,2.120],
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.210,2.160],
"number_observations_unique": 1426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.260,2.210],
"number_observations_unique": 1427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 1412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.430,2.370],
"number_observations_unique": 1440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.500,2.430],
"number_observations_unique": 1403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.580,2.500],
"number_observations_unique": 1424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.680,2.580],
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.780,2.680],
"number_observations_unique": 1418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.910,2.780],
"number_observations_unique": 1417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.060,2.910],
"number_observations_unique": 1441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.250,3.060],
"number_observations_unique": 1434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.500,3.250],
"number_observations_unique": 1437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.860,3.500],
"number_observations_unique": 1435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.410,3.860],
"number_observations_unique": 1438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [5.560,4.410],
"number_observations_unique": 1432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [40.000,5.560],
"number_observations_unique": 1412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}