Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "823e2846d477f05a0928ad6d5f4003ff",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 124.819,
"b": 124.819,
"c": 126.840,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations_unique": 34504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.100],
"number_observations_unique": 1471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.280,2.240],
"number_observations_unique": 1484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.320,2.280],
"number_observations_unique": 1453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.370,2.320],
"number_observations_unique": 1464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 1469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.480,2.420],
"number_observations_unique": 1458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.540,2.480],
"number_observations_unique": 1479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.610,2.540],
"number_observations_unique": 1441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.690,2.610],
"number_observations_unique": 1447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.770,2.690],
"number_observations_unique": 1452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.990,2.870],
"number_observations_unique": 1420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.120,2.990],
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.290,3.120],
"number_observations_unique": 1420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.490,3.290],
"number_observations_unique": 1402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.760,3.490],
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.140,3.760],
"number_observations_unique": 1383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.740,4.140],
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [5.970,4.740],
"number_observations_unique": 1332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [50.000,5.970],
"number_observations_unique": 1363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 80.100
},
{
"type": "Redundancy",
"value": 4.000
}
]
}
]
}