Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f28e7d76edeb982580fd44ddb1e4127",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.891,
"b": 82.466,
"c": 92.522,
"alpha": 90.00,
"beta": 107.84,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.480,1.73],
"number_observations": 453619,
"number_observations_unique": 66408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 18.840
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.820
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.83,1.73],
"number_observations": 72070,
"number_observations_unique": 10763,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.564
},
{
"type": "R(meas)",
"value": 2.773
},
{
"type": "I/SigI",
"value": 0.68
},
{
"type": "Completeness",
"value": 0.969
},
{
"type": "Redundancy",
"value": 6.70
},
{
"type": "CC(1/2)",
"value": 0.366
}
]
},
{
"resolution_limits": [1.96,1.83],
"number_observations": 69901,
"number_observations_unique": 10123,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.208
},
{
"type": "R(meas)",
"value": 1.307
},
{
"type": "I/SigI",
"value": 1.52
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [2.11,1.96],
"number_observations": 60344,
"number_observations_unique": 9417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "R(meas)",
"value": 0.539
},
{
"type": "I/SigI",
"value": 3.60
},
{
"type": "Completeness",
"value": 1.000
},
{
"type": "Redundancy",
"value": 6.41
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [2.31,2.11],
"number_observations": 57147,
"number_observations_unique": 8676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 8.01
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.59
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.59,2.31],
"number_observations": 57255,
"number_observations_unique": 7892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 16.20
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.25
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.98,2.59],
"number_observations": 49479,
"number_observations_unique": 6942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 29.47
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.13
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.65,2.98],
"number_observations": 38850,
"number_observations_unique": 5892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 49.17
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.59
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.15,3.65],
"number_observations": 29536,
"number_observations_unique": 4597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 67.32
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.43
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,5.15],
"number_observations": 19036,
"number_observations_unique": 2603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 76.20
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 7.31
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}