Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f5ef0d769ea44298ff6006de6fb7670",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 260.119,
"b": 46.241,
"c": 103.104,
"alpha": 90.00,
"beta": 113.28,
"gamma": 90.00
},
"wavelengths": [0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,3.000],
"number_observations": 92299,
"number_observations_unique": 22718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [3.110,3.000],
"number_observations_unique": 1940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.518
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.230,3.110],
"number_observations_unique": 2141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.380,3.230],
"number_observations_unique": 2227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.560,3.380],
"number_observations_unique": 2333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.780,3.560],
"number_observations_unique": 2301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.070,3.780],
"number_observations_unique": 2298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.480,4.070],
"number_observations_unique": 2335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [5.130,4.480],
"number_observations_unique": 2350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [6.460,5.130],
"number_observations_unique": 2355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [100.000,6.460],
"number_observations_unique": 2438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
}
]
}