Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "685ed3c4584dd66e1b3c3e5b84ce38dc",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 104.932,
"b": 104.932,
"c": 145.145,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97958],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.800],
"number_observations_unique": 37795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 23.0
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations_unique": 1857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.710
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.600
}
]
},
{
"resolution_limits": [1.860,1.830],
"number_observations_unique": 1866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.900
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 1857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.569
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.000
}
]
},
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 1855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.900
}
]
},
{
"resolution_limits": [1.980,1.940],
"number_observations_unique": 1874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.000
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 1871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.000
}
]
},
{
"resolution_limits": [2.080,2.030],
"number_observations_unique": 1882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.900
}
]
},
{
"resolution_limits": [2.130,2.080],
"number_observations_unique": 1860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.100
}
]
},
{
"resolution_limits": [2.200,2.130],
"number_observations_unique": 1861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.100
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 1869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.000
}
]
},
{
"resolution_limits": [2.350,2.270],
"number_observations_unique": 1891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.100
}
]
},
{
"resolution_limits": [2.440,2.350],
"number_observations_unique": 1869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.100
}
]
},
{
"resolution_limits": [2.550,2.440],
"number_observations_unique": 1893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.200
}
]
},
{
"resolution_limits": [2.690,2.550],
"number_observations_unique": 1880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.100
}
]
},
{
"resolution_limits": [2.860,2.690],
"number_observations_unique": 1892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.100
}
]
},
{
"resolution_limits": [3.080,2.860],
"number_observations_unique": 1905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.100
}
]
},
{
"resolution_limits": [3.390,3.080],
"number_observations_unique": 1902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.900
}
]
},
{
"resolution_limits": [3.880,3.390],
"number_observations_unique": 1912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 15.600
}
]
},
{
"resolution_limits": [4.880,3.880],
"number_observations_unique": 1946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 15.200
}
]
},
{
"resolution_limits": [50.000,4.880],
"number_observations_unique": 2053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 15.200
}
]
}
]
}