Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ed3df306cccf2f5133fd46af91fbac8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.078,
"b": 72.692,
"c": 82.896,
"alpha": 90.00,
"beta": 96.15,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.418,1.500],
"number_observations_unique": 99706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.500],
"number_observations": 53532,
"number_observations_unique": 14564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.650
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.680,1.580],
"number_observations": 50817,
"number_observations_unique": 13753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.790,1.680],
"number_observations": 48221,
"number_observations_unique": 12989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.940,1.790],
"number_observations": 44972,
"number_observations_unique": 12063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.120,1.940],
"number_observations": 41735,
"number_observations_unique": 11176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.370,2.120],
"number_observations": 37263,
"number_observations_unique": 9999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.740,2.370],
"number_observations": 32975,
"number_observations_unique": 8868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.350,2.740],
"number_observations": 27514,
"number_observations_unique": 7476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.740,3.350],
"number_observations": 20753,
"number_observations_unique": 5720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 27.800
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [72.692,4.740],
"number_observations": 10874,
"number_observations_unique": 3098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 31.700
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}