Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b57080ffd759ef60c010cc329463255",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.783,
"b": 100.052,
"c": 96.193,
"alpha": 90.00,
"beta": 101.25,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.800],
"number_observations_unique": 75014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations_unique": 3635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.787
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [1.860,1.830],
"number_observations_unique": 3667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 3684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 3629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [1.980,1.940],
"number_observations_unique": 3662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 3626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.080,2.030],
"number_observations_unique": 3622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.130,2.080],
"number_observations_unique": 3637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.200,2.130],
"number_observations_unique": 3559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 3630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.350,2.270],
"number_observations_unique": 3612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.440,2.350],
"number_observations_unique": 3601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.550,2.440],
"number_observations_unique": 3627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.690,2.550],
"number_observations_unique": 3734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.860,2.690],
"number_observations_unique": 3813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.080,2.860],
"number_observations_unique": 3968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [3.390,3.080],
"number_observations_unique": 4064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [3.880,3.390],
"number_observations_unique": 4049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [4.880,3.880],
"number_observations_unique": 4113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [50.000,4.880],
"number_observations_unique": 4082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.300
}
]
}
]
}