Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "157f2b01b632e8a7ffed289b907101a4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.83,
"b": 186.62,
"c": 93.71,
"alpha": 90.00,
"beta": 103.06,
"gamma": 90.00
},
"wavelengths": [0.97968],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.029,2.00],
"number_observations_unique": 131295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.520
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.52
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations": 29100,
"number_observations_unique": 23106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 90.00
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations": 29568,
"number_observations_unique": 23497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 92.30
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations": 36963,
"number_observations_unique": 25746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 95.00
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations": 41343,
"number_observations_unique": 25714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 96.90
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations": 46541,
"number_observations_unique": 26137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 98.60
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations": 52830,
"number_observations_unique": 25521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations": 56859,
"number_observations_unique": 26778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations": 55804,
"number_observations_unique": 25980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 14.5
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [4.30,3.42],
"number_observations": 56252,
"number_observations_unique": 25967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 21.6
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [30.029,4.30],
"number_observations": 56825,
"number_observations_unique": 26210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 25.4
},
{
"type": "Completeness",
"value": 99.00
}
]
}
]
}