Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84e14273e420d18ee2a8d684cc2f716b",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 159.594,
"b": 159.594,
"c": 689.652,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.942,3.680],
"number_observations_unique": 37324,
"quality_factors": [
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [3.780,3.680],
"number_observations": 10824,
"number_observations_unique": 2715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.625
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.880,3.780],
"number_observations": 10564,
"number_observations_unique": 2662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.990,3.880],
"number_observations": 10262,
"number_observations_unique": 2595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [4.110,3.990],
"number_observations": 9815,
"number_observations_unique": 2485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.250,4.110],
"number_observations": 9555,
"number_observations_unique": 2427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.400,4.250],
"number_observations": 9409,
"number_observations_unique": 2394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.560,4.400],
"number_observations": 8872,
"number_observations_unique": 2267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.750,4.560],
"number_observations": 8581,
"number_observations_unique": 2198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.960,4.750],
"number_observations": 8194,
"number_observations_unique": 2116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [5.200,4.960],
"number_observations": 7750,
"number_observations_unique": 2010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [5.490,5.200],
"number_observations": 7497,
"number_observations_unique": 1941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [5.820,5.490],
"number_observations": 6848,
"number_observations_unique": 1807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [6.220,5.820],
"number_observations": 6511,
"number_observations_unique": 1738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [6.720,6.220],
"number_observations": 5889,
"number_observations_unique": 1608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [7.360,6.720],
"number_observations": 5051,
"number_observations_unique": 1471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [8.230,7.360],
"number_observations": 4943,
"number_observations_unique": 1338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [9.500,8.230],
"number_observations": 4761,
"number_observations_unique": 1214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [11.640,9.500],
"number_observations": 3961,
"number_observations_unique": 1026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [16.460,11.640],
"number_observations": 3099,
"number_observations_unique": 826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [114.942,16.460],
"number_observations": 1609,
"number_observations_unique": 486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}