Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "64b69cdf79cdef189e9cca0e33bfd77e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 87.70,
"b": 67.33,
"c": 153.79,
"alpha": 90.00,
"beta": 100.31,
"gamma": 90.00
},
"wavelengths": [0.97889],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.800],
"number_observations_unique": 39866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 1810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 1880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 1870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.020,2.960],
"number_observations_unique": 1842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.080,3.020],
"number_observations_unique": 1840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.150,3.080],
"number_observations_unique": 1855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 86.200
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.230,3.150],
"number_observations_unique": 1878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.320,3.230],
"number_observations_unique": 1863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.420,3.320],
"number_observations_unique": 1843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 86.200
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.530,3.420],
"number_observations_unique": 1911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [3.650,3.530],
"number_observations_unique": 1973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [3.800,3.650],
"number_observations_unique": 2070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [3.970,3.800],
"number_observations_unique": 1928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [4.180,3.970],
"number_observations_unique": 2146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.440,4.180],
"number_observations_unique": 2153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.790,4.440],
"number_observations_unique": 2180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [5.270,4.790],
"number_observations_unique": 2158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [6.030,5.270],
"number_observations_unique": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [7.590,6.030],
"number_observations_unique": 2213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [50.000,7.590],
"number_observations_unique": 2268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}