Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f6b5da21889925208452b0e190a237ae",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.847,
"b": 79.564,
"c": 55.647,
"alpha": 90.00,
"beta": 107.69,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.800],
"number_observations": 124643,
"number_observations_unique": 36632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations_unique": 1006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "Completeness",
"value": 52.100
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [1.860,1.830],
"number_observations_unique": 1225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "Completeness",
"value": 62.600
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 1464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 74.900
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 1664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 84.900
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [1.980,1.940],
"number_observations_unique": 1811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 1975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.080,2.030],
"number_observations_unique": 1912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.130,2.080],
"number_observations_unique": 1954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.200,2.130],
"number_observations_unique": 1958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 1962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.350,2.270],
"number_observations_unique": 1955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.440,2.350],
"number_observations_unique": 1976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.550,2.440],
"number_observations_unique": 1951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.690,2.550],
"number_observations_unique": 1957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.860,2.690],
"number_observations_unique": 1973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.080,2.860],
"number_observations_unique": 1959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.390,3.080],
"number_observations_unique": 1967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.880,3.390],
"number_observations_unique": 1981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.880,3.880],
"number_observations_unique": 1974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [50.000,4.880],
"number_observations_unique": 2008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}