Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "238c9904940b00dedaa6639d93a41c75",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.08,
"b": 81.88,
"c": 58.35,
"alpha": 90.00,
"beta": 110.86,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.010],
"number_observations": 208760,
"number_observations_unique": 31129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,2.010],
"number_observations_unique": 1331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.821
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.080,2.040],
"number_observations_unique": 1418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.120,2.080],
"number_observations_unique": 1505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.170,2.120],
"number_observations_unique": 1567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.210,2.170],
"number_observations_unique": 1581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.260,2.210],
"number_observations_unique": 1575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations_unique": 1585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.335
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.380,2.320],
"number_observations_unique": 1601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.450,2.380],
"number_observations_unique": 1568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.530,2.450],
"number_observations_unique": 1499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.620,2.530],
"number_observations_unique": 1583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.730,2.620],
"number_observations_unique": 1590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.850,2.730],
"number_observations_unique": 1580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.000,2.850],
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.190,3.000],
"number_observations_unique": 1597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.440,3.190],
"number_observations_unique": 1551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.780,3.440],
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.330,3.780],
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [5.450,4.330],
"number_observations_unique": 1588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [50.000,5.450],
"number_observations_unique": 1622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.900
}
]
}
]
}