Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eeee6b7e621794c689aad14d8f0db60e",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.190,
"b": 70.237,
"c": 71.214,
"alpha": 99.86,
"beta": 99.34,
"gamma": 103.81
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,3.125],
"number_observations_unique": 18739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [3.200,3.150],
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.469
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.260,3.200],
"number_observations_unique": 940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [3.330,3.260],
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [3.390,3.330],
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [3.470,3.390],
"number_observations_unique": 911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.550,3.470],
"number_observations_unique": 964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.640,3.550],
"number_observations_unique": 919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [3.730,3.640],
"number_observations_unique": 954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.840,3.730],
"number_observations_unique": 913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.970,3.840],
"number_observations_unique": 966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [4.110,3.970],
"number_observations_unique": 903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.270,4.110],
"number_observations_unique": 955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.470,4.270],
"number_observations_unique": 950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.700,4.470],
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [5.000,4.700],
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [5.380,5.000],
"number_observations_unique": 957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [5.920,5.380],
"number_observations_unique": 932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [6.780,5.920],
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [8.520,6.780],
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [40.000,8.520],
"number_observations_unique": 938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
}
]
}