Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b76721e259c1626d5410d51eea71c49b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 86.23,
"b": 86.46,
"c": 105.16,
"alpha": 90.00,
"beta": 91.91,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.100],
"number_observations_unique": 89781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 12.650
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations": 18208,
"number_observations_unique": 6522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.528
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations": 19969,
"number_observations_unique": 6454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.280,2.210],
"number_observations": 20703,
"number_observations_unique": 6278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.350,2.280],
"number_observations": 22470,
"number_observations_unique": 6105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations": 22096,
"number_observations_unique": 5876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.510,2.420],
"number_observations": 21702,
"number_observations_unique": 5766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.600,2.510],
"number_observations": 20832,
"number_observations_unique": 5531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.710,2.600],
"number_observations": 19977,
"number_observations_unique": 5317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.830,2.710],
"number_observations": 19222,
"number_observations_unique": 5100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.970,2.830],
"number_observations": 18549,
"number_observations_unique": 4919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.130,2.970],
"number_observations": 17386,
"number_observations_unique": 4611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 13.3
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.320,3.130],
"number_observations": 16724,
"number_observations_unique": 4448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 17.4
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.550,3.320],
"number_observations": 15433,
"number_observations_unique": 4110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 21.0
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.830,3.550],
"number_observations": 14511,
"number_observations_unique": 3859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 26.1
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.200,3.830],
"number_observations": 13352,
"number_observations_unique": 3576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 30.5
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.700,4.200],
"number_observations": 12021,
"number_observations_unique": 3216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 33.2
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [5.420,4.700],
"number_observations": 10610,
"number_observations_unique": 2849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 32.1
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [6.640,5.420],
"number_observations": 8975,
"number_observations_unique": 2428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 28.9
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [9.390,6.640],
"number_observations": 6837,
"number_observations_unique": 1881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 38.4
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [50,9.390],
"number_observations": 3241,
"number_observations_unique": 935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 42.4
},
{
"type": "Completeness",
"value": 87.500
}
]
}
]
}