Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "50e436b042f6cc25f14fad40b4e5d1b8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.285,
"b": 72.484,
"c": 116.388,
"alpha": 90.00,
"beta": 98.78,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.66],
"number_observations": 201036,
"number_observations_unique": 57442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.984
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.71,2.66],
"number_observations_unique": 2741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [2.76,2.71],
"number_observations_unique": 2794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [2.81,2.76],
"number_observations_unique": 2932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.87,2.81],
"number_observations_unique": 2818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.93,2.87],
"number_observations_unique": 2926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [3.00,2.93],
"number_observations_unique": 2888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [3.07,3.00],
"number_observations_unique": 2848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [3.15,3.07],
"number_observations_unique": 2935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [3.25,3.15],
"number_observations_unique": 2854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [3.35,3.25],
"number_observations_unique": 2857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [3.47,3.35],
"number_observations_unique": 2904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
{
"resolution_limits": [3.61,3.47],
"number_observations_unique": 2881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [3.77,3.61],
"number_observations_unique": 2881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [3.97,3.77],
"number_observations_unique": 2898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [4.22,3.97],
"number_observations_unique": 2873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [4.55,4.22],
"number_observations_unique": 2920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [5.00,4.55],
"number_observations_unique": 2848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [5.73,5.00],
"number_observations_unique": 2871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [7.21,5.73],
"number_observations_unique": 2906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [50.00,7.21],
"number_observations_unique": 2867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 3.8
}
]
}
]
}