Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "963d88169386f8c0223f4d1057220115",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.957,
"b": 93.399,
"c": 217.762,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,3.00],
"number_observations": 80505,
"number_observations_unique": 19209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 4.2
}
]
},
"refln_shells": [
{
"resolution_limits": [3.11,3.00],
"number_observations_unique": 1776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "Completeness",
"value": 91.4
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [3.23,3.11],
"number_observations_unique": 1820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Completeness",
"value": 94.4
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [3.38,3.23],
"number_observations_unique": 1902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [3.56,3.38],
"number_observations_unique": 1880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 3.9
}
]
},
{
"resolution_limits": [3.78,3.56],
"number_observations_unique": 1917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 4.2
}
]
},
{
"resolution_limits": [4.07,3.78],
"number_observations_unique": 1920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [4.48,4.07],
"number_observations_unique": 1940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [5.13,4.48],
"number_observations_unique": 1964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 5.0
}
]
},
{
"resolution_limits": [6.46,5.13],
"number_observations_unique": 1997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 5.0
}
]
},
{
"resolution_limits": [50.00,6.46],
"number_observations_unique": 2093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 5.3
}
]
}
]
}