Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33048363a373d18402180f80bbe1f8fd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.214,
"b": 76.756,
"c": 131.538,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.430,2.100],
"number_observations_unique": 33407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.030
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.100],
"number_observations": 26560,
"number_observations_unique": 3275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.010
}
]
},
{
"resolution_limits": [2.260,2.180],
"number_observations": 26676,
"number_observations_unique": 3289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.030
}
]
},
{
"resolution_limits": [2.370,2.260],
"number_observations": 26699,
"number_observations_unique": 3288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.050
}
]
},
{
"resolution_limits": [2.490,2.370],
"number_observations": 26998,
"number_observations_unique": 3321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.070
}
]
},
{
"resolution_limits": [2.650,2.490],
"number_observations": 26870,
"number_observations_unique": 3310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.060
}
]
},
{
"resolution_limits": [2.850,2.650],
"number_observations": 26976,
"number_observations_unique": 3304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.090
}
]
},
{
"resolution_limits": [3.140,2.850],
"number_observations": 27088,
"number_observations_unique": 3325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [3.590,3.140],
"number_observations": 27333,
"number_observations_unique": 3352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.110
}
]
},
{
"resolution_limits": [4.520,3.590],
"number_observations": 27529,
"number_observations_unique": 3396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 16.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.060
}
]
},
{
"resolution_limits": [42.430,4.520],
"number_observations": 27403,
"number_observations_unique": 3547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 21.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.690
}
]
}
]
}