{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "691732763e17849a08d7f8159568c28c",
"space_group_name": "P 2 2 21",
"unit_cell": {
"a": 40.04,
"b": 84.94,
"c": 175.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.845,2.200],
"number_observations_unique": 31474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 19.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 13424,
"number_observations_unique": 2272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations": 13102,
"number_observations_unique": 2224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations": 12761,
"number_observations_unique": 2176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.460,2.390],
"number_observations": 12356,
"number_observations_unique": 2093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations": 12167,
"number_observations_unique": 2069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.630,2.540],
"number_observations": 11537,
"number_observations_unique": 1956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.730,2.630],
"number_observations": 11329,
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations": 10980,
"number_observations_unique": 1878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations": 10276,
"number_observations_unique": 1733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.110,2.970],
"number_observations": 10039,
"number_observations_unique": 1723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.280,3.110],
"number_observations": 9492,
"number_observations_unique": 1615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.480,3.280],
"number_observations": 9000,
"number_observations_unique": 1538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.720,3.480],
"number_observations": 8440,
"number_observations_unique": 1455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [4.020,3.720],
"number_observations": 7927,
"number_observations_unique": 1376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [4.400,4.020],
"number_observations": 7260,
"number_observations_unique": 1248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [4.920,4.400],
"number_observations": 6560,
"number_observations_unique": 1142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [5.680,4.920],
"number_observations": 5886,
"number_observations_unique": 1046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [6.960,5.680],
"number_observations": 4879,
"number_observations_unique": 870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [9.840,6.960],
"number_observations": 3825,
"number_observations_unique": 708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [87.845,9.840],
"number_observations": 2049,
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.800
}
]
}
]
}
|