Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72b1d998e4919ba6bc1bf201273a1408",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 93.58,
"b": 132.78,
"c": 122.81,
"alpha": 90.00,
"beta": 109.35,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.873,1.600],
"number_observations_unique": 357773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.600],
"number_observations": 166958,
"number_observations_unique": 49514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.790,1.690],
"number_observations": 158354,
"number_observations_unique": 47127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.910,1.790],
"number_observations": 152294,
"number_observations_unique": 45191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.070,1.910],
"number_observations": 147417,
"number_observations_unique": 43511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.260,2.070],
"number_observations": 143406,
"number_observations_unique": 41031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.530,2.260],
"number_observations": 135973,
"number_observations_unique": 37220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.920,2.530],
"number_observations": 120893,
"number_observations_unique": 32793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.580,2.920],
"number_observations": 104275,
"number_observations_unique": 27874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [5.060,3.580],
"number_observations": 82296,
"number_observations_unique": 21613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [33.195,5.060],
"number_observations": 44878,
"number_observations_unique": 11899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}