Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b67c088eec714f242053c714bb424c8a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 211.282,
"b": 448.357,
"c": 616.604,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,3.500],
"number_observations": 4247078,
"number_observations_unique": 732004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "I/SigI",
"value": 5.690
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.8
}
]
},
"refln_shells": [
{
"resolution_limits": [3.600,3.500],
"number_observations": 280244,
"number_observations_unique": 58239,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.147
},
{
"type": "R(meas)",
"value": 1.285
},
{
"type": "I/SigI",
"value": 1.190
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [3.700,3.600],
"number_observations": 257835,
"number_observations_unique": 52594,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.043
},
{
"type": "R(meas)",
"value": 1.167
},
{
"type": "I/SigI",
"value": 1.470
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.800,3.700],
"number_observations": 258439,
"number_observations_unique": 47320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.764
},
{
"type": "R(meas)",
"value": 0.844
},
{
"type": "I/SigI",
"value": 2.020
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.000,3.800],
"number_observations": 437472,
"number_observations_unique": 81073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "R(meas)",
"value": 0.695
},
{
"type": "I/SigI",
"value": 2.610
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 1418105,
"number_observations_unique": 239101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 4.930
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 660639,
"number_observations_unique": 106150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 7.980
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations": 537021,
"number_observations_unique": 84774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 9.910
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 194820,
"number_observations_unique": 30446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 12.490
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 181343,
"number_observations_unique": 28412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [35.000,20.000],
"number_observations": 19785,
"number_observations_unique": 3450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 14.820
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [50,35.000],
"number_observations": 1375,
"number_observations_unique": 445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 3.690
},
{
"type": "Completeness",
"value": 51.300
}
]
}
]
}