Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "639ac61def2a55fa043c44e6c5592af7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.80,
"b": 55.21,
"c": 81.33,
"alpha": 90.00,
"beta": 122.27,
"gamma": 90.00
},
"wavelengths": [0.91837,0.97947,0.97908],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.243,2.60],
"number_observations_unique": 14464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 8.590
},
{
"type": "Completeness",
"value": 92.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.600],
"number_observations": 3110,
"number_observations_unique": 1992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 92.300
}
]
},
{
"resolution_limits": [2.740,2.670],
"number_observations": 3052,
"number_observations_unique": 1971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 94.700
}
]
},
{
"resolution_limits": [2.820,2.740],
"number_observations": 2885,
"number_observations_unique": 1863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 92.400
}
]
},
{
"resolution_limits": [2.910,2.820],
"number_observations": 2853,
"number_observations_unique": 1868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 92.300
}
]
},
{
"resolution_limits": [3.010,2.910],
"number_observations": 2449,
"number_observations_unique": 1660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 90.300
}
]
},
{
"resolution_limits": [3.110,3.010],
"number_observations": 2751,
"number_observations_unique": 1756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 94.200
}
]
},
{
"resolution_limits": [3.230,3.110],
"number_observations": 2658,
"number_observations_unique": 1694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 94.900
}
]
},
{
"resolution_limits": [3.360,3.230],
"number_observations": 2469,
"number_observations_unique": 1594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 93.000
}
]
},
{
"resolution_limits": [3.510,3.360],
"number_observations": 2371,
"number_observations_unique": 1549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 92.500
}
]
},
{
"resolution_limits": [3.680,3.510],
"number_observations": 2055,
"number_observations_unique": 1402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 89.300
}
]
},
{
"resolution_limits": [3.880,3.680],
"number_observations": 2174,
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 94.000
}
]
},
{
"resolution_limits": [4.120,3.880],
"number_observations": 2063,
"number_observations_unique": 1331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 93.900
}
]
},
{
"resolution_limits": [4.400,4.120],
"number_observations": 1893,
"number_observations_unique": 1225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.0
},
{
"type": "Completeness",
"value": 93.300
}
]
},
{
"resolution_limits": [4.750,4.400],
"number_observations": 1773,
"number_observations_unique": 1169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 18.5
},
{
"type": "Completeness",
"value": 93.900
}
]
},
{
"resolution_limits": [5.210,4.750],
"number_observations": 1633,
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.7
},
{
"type": "Completeness",
"value": 93.100
}
]
},
{
"resolution_limits": [5.820,5.210],
"number_observations": 1561,
"number_observations_unique": 997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.6
},
{
"type": "Completeness",
"value": 94.000
}
]
},
{
"resolution_limits": [6.720,5.820],
"number_observations": 1270,
"number_observations_unique": 819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 93.800
}
]
},
{
"resolution_limits": [8.230,6.720],
"number_observations": 1059,
"number_observations_unique": 707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.5
},
{
"type": "Completeness",
"value": 90.200
}
]
},
{
"resolution_limits": [11.640,8.230],
"number_observations": 871,
"number_observations_unique": 556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 31.0
},
{
"type": "Completeness",
"value": 91.900
}
]
},
{
"resolution_limits": [61.243,11.640],
"number_observations": 445,
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.8
},
{
"type": "Completeness",
"value": 89.300
}
]
}
]
}