Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e1493ce0fd7dcaac168f6bb767fed6f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 30.28,
"b": 68.14,
"c": 81.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54170],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.160,2.598],
"number_observations_unique": 5632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.730,2.590],
"number_observations": 3276,
"number_observations_unique": 771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.900,2.730],
"number_observations": 3331,
"number_observations_unique": 741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.100,2.900],
"number_observations": 3287,
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.350,3.100],
"number_observations": 3078,
"number_observations_unique": 674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.670,3.350],
"number_observations": 2781,
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [4.100,3.670],
"number_observations": 2564,
"number_observations_unique": 572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [4.730,4.100],
"number_observations": 2261,
"number_observations_unique": 503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [5.800,4.730],
"number_observations": 1959,
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [8.200,5.800],
"number_observations": 1487,
"number_observations_unique": 358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [34.070,8.200],
"number_observations": 795,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 19.7
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}