Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab278bb1e5fefb1c670b0e322c659c05",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 171.53,
"b": 216.13,
"c": 64.49,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.88,2.200],
"number_observations": 15148713,
"number_observations_unique": 122589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 33.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 124
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.200],
"number_observations": 606497,
"number_observations_unique": 7902,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.961
},
{
"type": "R(meas)",
"value": 4.994
},
{
"type": "I/SigI",
"value": 1.110
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.300,2.250],
"number_observations": 695642,
"number_observations_unique": 7268,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.702
},
{
"type": "R(meas)",
"value": 3.721
},
{
"type": "I/SigI",
"value": 1.780
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.500,2.300],
"number_observations": 2816110,
"number_observations_unique": 23428,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.109
},
{
"type": "R(meas)",
"value": 2.118
},
{
"type": "I/SigI",
"value": 3.770
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations": 4695499,
"number_observations_unique": 34940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.664
},
{
"type": "I/SigI",
"value": 13.570
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations": 3732529,
"number_observations_unique": 27990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 52.550
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 1269827,
"number_observations_unique": 10102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 94.970
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,5.000],
"number_observations": 1171545,
"number_observations_unique": 9465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 100.400
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 143773,
"number_observations_unique": 1280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 112.140
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [25.000,20.000],
"number_observations": 10176,
"number_observations_unique": 96,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 109.610
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [30.000,25.000],
"number_observations": 4522,
"number_observations_unique": 47,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 98.060
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [40.000,30.000],
"number_observations": 2393,
"number_observations_unique": 37,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 83.930
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [42.88,40.000],
"number_observations": 200,
"number_observations_unique": 13,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.854
},
{
"type": "R(meas)",
"value": 0.891
},
{
"type": "I/SigI",
"value": 5.640
},
{
"type": "Completeness",
"value": 39.400
}
]
}
]
}