Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b2d523b197b6067f240fa5a94fdba26d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.807,
"b": 81.685,
"c": 93.141,
"alpha": 90.00,
"beta": 108.28,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.650,1.73],
"number_observations": 418961,
"number_observations_unique": 61568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 9.140
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.432
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.83,1.73],
"number_observations": 62351,
"number_observations_unique": 10640,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.724
},
{
"type": "R(meas)",
"value": 2.969
},
{
"type": "I/SigI",
"value": 0.51
},
{
"type": "Completeness",
"value": 0.930
},
{
"type": "Redundancy",
"value": 5.86
},
{
"type": "CC(1/2)",
"value": 0.279
}
]
},
{
"resolution_limits": [1.96,1.83],
"number_observations": 66515,
"number_observations_unique": 9948,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.391
},
{
"type": "R(meas)",
"value": 1.511
},
{
"type": "I/SigI",
"value": 1.17
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.69
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [2.12,1.96],
"number_observations": 60583,
"number_observations_unique": 9297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "R(meas)",
"value": 0.723
},
{
"type": "I/SigI",
"value": 2.75
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.52
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
{
"resolution_limits": [2.32,2.12],
"number_observations": 57129,
"number_observations_unique": 8613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 5.69
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.63
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.59,2.32],
"number_observations": 50754,
"number_observations_unique": 7758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 9.78
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.54
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.99,2.59],
"number_observations": 42886,
"number_observations_unique": 6861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 14.64
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.25
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.66,2.99],
"number_observations": 34821,
"number_observations_unique": 5813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 21.89
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 5.99
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.16,3.66],
"number_observations": 27659,
"number_observations_unique": 4532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 27.83
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.10
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.00,5.16],
"number_observations": 16263,
"number_observations_unique": 2574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 29.85
},
{
"type": "Completeness",
"value": 0.993
},
{
"type": "Redundancy",
"value": 6.32
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}