{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42692c41a9347e3418203dada89a2128",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.319,
"b": 72.197,
"c": 94.903,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.800],
"number_observations_unique": 33917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations_unique": 1511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [1.860,1.830],
"number_observations_unique": 1615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 1617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 1289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "Completeness",
"value": 71.000
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.980,1.940],
"number_observations_unique": 1778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 1804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.080,2.030],
"number_observations_unique": 1810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.130,2.080],
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.200,2.130],
"number_observations_unique": 1806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 52.200
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.350,2.270],
"number_observations_unique": 1694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.440,2.350],
"number_observations_unique": 1814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.550,2.440],
"number_observations_unique": 1822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.690,2.550],
"number_observations_unique": 1837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.860,2.690],
"number_observations_unique": 1803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.080,2.860],
"number_observations_unique": 1838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.390,3.080],
"number_observations_unique": 1852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.880,3.390],
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [4.880,3.880],
"number_observations_unique": 1706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [50.000,4.880],
"number_observations_unique": 1977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}
|