Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22732236169b6e2930bebf2f1992b9c9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 144.22,
"b": 67.87,
"c": 106.60,
"alpha": 90.00,
"beta": 95.38,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.235,2.816],
"number_observations_unique": 24974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.89,2.82],
"number_observations": 6881,
"number_observations_unique": 1825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.69
},
{
"type": "Completeness",
"value": 99.17
},
{
"type": "Redundancy",
"value": 3.77
}
]
},
{
"resolution_limits": [2.97,2.89],
"number_observations": 6829,
"number_observations_unique": 1810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.52
},
{
"type": "Completeness",
"value": 99.05
},
{
"type": "Redundancy",
"value": 3.77
}
]
},
{
"resolution_limits": [3.05,2.97],
"number_observations": 6487,
"number_observations_unique": 1726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.41
},
{
"type": "Completeness",
"value": 99.91
},
{
"type": "Redundancy",
"value": 3.76
}
]
},
{
"resolution_limits": [3.15,3.05],
"number_observations": 6320,
"number_observations_unique": 1671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.32
},
{
"type": "Completeness",
"value": 99.24
},
{
"type": "Redundancy",
"value": 3.78
}
]
},
{
"resolution_limits": [3.25,3.15],
"number_observations": 6213,
"number_observations_unique": 1653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.24
},
{
"type": "Completeness",
"value": 99.57
},
{
"type": "Redundancy",
"value": 3.76
}
]
},
{
"resolution_limits": [3.37,3.25],
"number_observations": 6030,
"number_observations_unique": 1597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.16
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.78
}
]
},
{
"resolution_limits": [3.49,3.37],
"number_observations": 5682,
"number_observations_unique": 1510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.12
},
{
"type": "Completeness",
"value": 99.13
},
{
"type": "Redundancy",
"value": 3.76
}
]
},
{
"resolution_limits": [3.64,3.49],
"number_observations": 5529,
"number_observations_unique": 1477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09
},
{
"type": "Completeness",
"value": 99.34
},
{
"type": "Redundancy",
"value": 3.74
}
]
},
{
"resolution_limits": [3.80,3.64],
"number_observations": 5311,
"number_observations_unique": 1437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "Completeness",
"value": 99.64
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.98,3.80],
"number_observations": 4904,
"number_observations_unique": 1357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "Completeness",
"value": 99.62
},
{
"type": "Redundancy",
"value": 3.61
}
]
},
{
"resolution_limits": [4.20,3.98],
"number_observations": 4619,
"number_observations_unique": 1293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "Completeness",
"value": 99.56
},
{
"type": "Redundancy",
"value": 3.57
}
]
},
{
"resolution_limits": [4.45,4.20],
"number_observations": 4327,
"number_observations_unique": 1210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.58
}
]
},
{
"resolution_limits": [4.76,4.45],
"number_observations": 4118,
"number_observations_unique": 1140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "Completeness",
"value": 99.64
},
{
"type": "Redundancy",
"value": 3.61
}
]
},
{
"resolution_limits": [5.14,4.76],
"number_observations": 3957,
"number_observations_unique": 1084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "Completeness",
"value": 99.57
},
{
"type": "Redundancy",
"value": 3.65
}
]
},
{
"resolution_limits": [5.63,5.14],
"number_observations": 3572,
"number_observations_unique": 993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "Completeness",
"value": 99.48
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [6.30,5.63],
"number_observations": 3258,
"number_observations_unique": 895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "Completeness",
"value": 99.59
},
{
"type": "Redundancy",
"value": 3.64
}
]
},
{
"resolution_limits": [7.27,6.30],
"number_observations": 2994,
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "Completeness",
"value": 99.54
},
{
"type": "Redundancy",
"value": 3.75
}
]
},
{
"resolution_limits": [8.90,7.27],
"number_observations": 2529,
"number_observations_unique": 685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.02
},
{
"type": "Completeness",
"value": 99.77
},
{
"type": "Redundancy",
"value": 3.69
}
]
},
{
"resolution_limits": [12.59,8.90],
"number_observations": 1879,
"number_observations_unique": 520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.02
},
{
"type": "Completeness",
"value": 98.07
},
{
"type": "Redundancy",
"value": 3.61
}
]
},
{
"resolution_limits": [62.23,12.59],
"number_observations": 975,
"number_observations_unique": 292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.02
},
{
"type": "Completeness",
"value": 94.78
},
{
"type": "Redundancy",
"value": 3.34
}
]
}
]
}