Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "89f8a7bc512c44c995aca48986491330",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.693,
"b": 148.038,
"c": 59.138,
"alpha": 90.00,
"beta": 97.11,
"gamma": 90.00
},
"wavelengths": [0.97818],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.400],
"number_observations_unique": 125807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations_unique": 6229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.566
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.450,1.420],
"number_observations_unique": 6374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.480,1.450],
"number_observations_unique": 6220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.510,1.480],
"number_observations_unique": 6322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.540,1.510],
"number_observations_unique": 6218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.580,1.540],
"number_observations_unique": 6360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.620,1.580],
"number_observations_unique": 6230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.660,1.620],
"number_observations_unique": 6291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.710,1.660],
"number_observations_unique": 6305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.760,1.710],
"number_observations_unique": 6268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.830,1.760],
"number_observations_unique": 6291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.900,1.830],
"number_observations_unique": 6335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.990,1.900],
"number_observations_unique": 6317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.090,1.990],
"number_observations_unique": 6287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.220,2.090],
"number_observations_unique": 6304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.390,2.220],
"number_observations_unique": 6262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.630,2.390],
"number_observations_unique": 6316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.020,2.630],
"number_observations_unique": 6315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.800,3.020],
"number_observations_unique": 6340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [50.000,3.800],
"number_observations_unique": 6223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.100
}
]
}
]
}