Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "061c7251567f8b0c16e507e9e9f1b89d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.39,
"b": 60.39,
"c": 81.94,
"alpha": 90.0,
"beta": 103.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.840,2.490],
"number_observations": 79436,
"number_observations_unique": 23715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 8.290
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.350
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.490],
"number_observations": 11992,
"number_observations_unique": 3723,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.356
},
{
"type": "R(meas)",
"value": 1.626
},
{
"type": "I/SigI",
"value": 0.860
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.221
},
{
"type": "CC(1/2)",
"value": 0.418
}
]
},
{
"resolution_limits": [2.830,2.640],
"number_observations": 11855,
"number_observations_unique": 3585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "R(meas)",
"value": 0.967
},
{
"type": "I/SigI",
"value": 1.460
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.307
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [3.050,2.830],
"number_observations": 11926,
"number_observations_unique": 3343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 2.540
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.567
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [3.340,3.050],
"number_observations": 10932,
"number_observations_unique": 3114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 4.280
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.511
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [3.730,3.340],
"number_observations": 9282,
"number_observations_unique": 2788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.329
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.310,3.730],
"number_observations": 7863,
"number_observations_unique": 2477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.174
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [5.260,4.310],
"number_observations": 7316,
"number_observations_unique": 2094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 20.520
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.494
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.400,5.260],
"number_observations": 5230,
"number_observations_unique": 1639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 22.040
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.191
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [79.840,7.400],
"number_observations": 3040,
"number_observations_unique": 952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 33.860
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.193
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}