Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb7659b3ee326f67ecc32e2995fcbe65",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 68.259,
"b": 72.060,
"c": 129.440,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 43249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations_unique": 2105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 4.79
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 2139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.110,2.070],
"number_observations_unique": 2179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.150,2.110],
"number_observations_unique": 2099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 2129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 2139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 2109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations_unique": 2167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.520,2.440],
"number_observations_unique": 2146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.610,2.520],
"number_observations_unique": 2161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.710,2.610],
"number_observations_unique": 2146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.840,2.710],
"number_observations_unique": 2169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.990,2.840],
"number_observations_unique": 2151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.170,2.990],
"number_observations_unique": 2173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.420,3.170],
"number_observations_unique": 2172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.760,3.420],
"number_observations_unique": 2189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [4.310,3.760],
"number_observations_unique": 2177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [5.430,4.310],
"number_observations_unique": 2212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [50.000,5.430],
"number_observations_unique": 2319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.400
}
]
}
]
}