Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d644e971b0fdfde3aa7cc51f41bb6394",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.268,
"b": 73.162,
"c": 52.633,
"alpha": 90.00,
"beta": 109.25,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.740,1.12],
"number_observations": 817360,
"number_observations_unique": 115210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 10.390
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.713
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.19,1.12],
"number_observations": 119564,
"number_observations_unique": 19907,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.351
},
{
"type": "R(meas)",
"value": 1.471
},
{
"type": "I/SigI",
"value": 1.06
},
{
"type": "Completeness",
"value": 0.934
},
{
"type": "Redundancy",
"value": 6.01
},
{
"type": "CC(1/2)",
"value": 0.391
}
]
},
{
"resolution_limits": [1.27,1.19],
"number_observations": 126630,
"number_observations_unique": 18663,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.009
},
{
"type": "R(meas)",
"value": 1.096
},
{
"type": "I/SigI",
"value": 1.65
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.79
},
{
"type": "CC(1/2)",
"value": 0.569
}
]
},
{
"resolution_limits": [1.37,1.27],
"number_observations": 118187,
"number_observations_unique": 17439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "R(meas)",
"value": 0.681
},
{
"type": "I/SigI",
"value": 2.96
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.78
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [1.51,1.37],
"number_observations": 108012,
"number_observations_unique": 16032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(meas)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 5.66
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.74
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.68,1.51],
"number_observations": 97907,
"number_observations_unique": 14476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 9.98
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.76
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.94,1.68],
"number_observations": 88686,
"number_observations_unique": 12812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 17.24
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.92
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.38,1.94],
"number_observations": 72759,
"number_observations_unique": 10879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 25.96
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.69
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.36,2.38],
"number_observations": 54975,
"number_observations_unique": 8391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 31.16
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.55
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,3.36],
"number_observations": 30640,
"number_observations_unique": 4709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 35.56
},
{
"type": "Completeness",
"value": 0.988
},
{
"type": "Redundancy",
"value": 6.51
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}