Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "34358d025a34d9b6994962713cdb5c91",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.964,
"b": 71.627,
"c": 129.710,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.610],
"number_observations_unique": 82903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.610],
"number_observations_unique": 4093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 4.43
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.670,1.640],
"number_observations_unique": 4105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.700,1.670],
"number_observations_unique": 4073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 4112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.770,1.730],
"number_observations_unique": 4086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.810,1.770],
"number_observations_unique": 4079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.860,1.810],
"number_observations_unique": 4112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.910,1.860],
"number_observations_unique": 4101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.970,1.910],
"number_observations_unique": 4126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.030,1.970],
"number_observations_unique": 4112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.100,2.030],
"number_observations_unique": 4133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.190,2.100],
"number_observations_unique": 4134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.280,2.190],
"number_observations_unique": 4112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.400,2.280],
"number_observations_unique": 4156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.560,2.400],
"number_observations_unique": 4146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.750,2.560],
"number_observations_unique": 4165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.030,2.750],
"number_observations_unique": 4169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.470,3.030],
"number_observations_unique": 4220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.370,3.470],
"number_observations_unique": 4238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [50.000,4.370],
"number_observations_unique": 4431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.700
}
]
}
]
}