Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "983cf1eff2182933cd11888eeaa3e96a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.867,
"b": 81.763,
"c": 93.657,
"alpha": 90.00,
"beta": 108.68,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.36,1.47],
"number_observations": 750894,
"number_observations_unique": 109131,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 13.61
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.36,4.38],
"number_observations": 28978,
"number_observations_unique": 4214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 43.15
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.36,3.11],
"number_observations": 51108,
"number_observations_unique": 7493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 40.38
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.82
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.36,2.54],
"number_observations": 66673,
"number_observations_unique": 9627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 31.67
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.36,2.20],
"number_observations": 80715,
"number_observations_unique": 11403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 23.95
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.08
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.36,1.97],
"number_observations": 87660,
"number_observations_unique": 12900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 15.31
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [44.36,1.80],
"number_observations": 97208,
"number_observations_unique": 14208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 7.96
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [44.36,1.66],
"number_observations": 106913,
"number_observations_unique": 15495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(meas)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 3.92
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [44.36,1.56],
"number_observations": 114905,
"number_observations_unique": 16565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.718
},
{
"type": "R(meas)",
"value": 0.776
},
{
"type": "I/SigI",
"value": 2.03
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [44.36,1.47],
"number_observations": 116734,
"number_observations_unique": 17226,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.309
},
{
"type": "R(meas)",
"value": 1.417
},
{
"type": "I/SigI",
"value": 1.02
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 6.78
},
{
"type": "CC(1/2)",
"value": 0.537
}
]
}
]
}