Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29c49d3cdbe2086c58b32eea763ffb1b",
"space_group_name": "P 1",
"unit_cell": {
"a": 91.66,
"b": 173.33,
"c": 172.90,
"alpha": 119.95,
"beta": 99.34,
"gamma": 90.12
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [149.472,3.400],
"number_observations_unique": 117933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 94.7
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
"refln_shells": [
{
"resolution_limits": [3.580,3.400],
"number_observations": 31220,
"number_observations_unique": 16752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 92.3
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [3.800,3.580],
"number_observations": 29799,
"number_observations_unique": 15993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 92.8
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [4.060,3.800],
"number_observations": 28316,
"number_observations_unique": 15094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 93.3
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [4.390,4.060],
"number_observations": 26831,
"number_observations_unique": 14259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 94.8
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [4.810,4.390],
"number_observations": 25670,
"number_observations_unique": 13370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [5.380,4.810],
"number_observations": 23533,
"number_observations_unique": 12108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [6.210,5.380],
"number_observations": 20752,
"number_observations_unique": 10626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 2.0
}
]
},
{
"resolution_limits": [7.600,6.210],
"number_observations": 17643,
"number_observations_unique": 9020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 2.0
}
]
},
{
"resolution_limits": [10.750,7.600],
"number_observations": 13614,
"number_observations_unique": 6942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 2.0
}
]
},
{
"resolution_limits": [57.417,10.750],
"number_observations": 7343,
"number_observations_unique": 3769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 1.9
}
]
}
]
}