Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "766b3d69816655c0a54e11cf65eef19b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.612,
"b": 81.915,
"c": 93.845,
"alpha": 90.00,
"beta": 108.42,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.070,1.56],
"number_observations": 622668,
"number_observations_unique": 90548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 17.320
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.867
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.65,1.56],
"number_observations": 98842,
"number_observations_unique": 14625,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.355
},
{
"type": "R(meas)",
"value": 2.548
},
{
"type": "I/SigI",
"value": 0.76
},
{
"type": "Completeness",
"value": 0.981
},
{
"type": "Redundancy",
"value": 6.76
},
{
"type": "CC(1/2)",
"value": 0.390
}
]
},
{
"resolution_limits": [1.77,1.65],
"number_observations": 97367,
"number_observations_unique": 13814,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.330
},
{
"type": "R(meas)",
"value": 1.436
},
{
"type": "I/SigI",
"value": 1.41
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.05
},
{
"type": "CC(1/2)",
"value": 0.665
}
]
},
{
"resolution_limits": [1.91,1.77],
"number_observations": 89450,
"number_observations_unique": 12838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "R(meas)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 2.93
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.97
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [2.09,1.91],
"number_observations": 77922,
"number_observations_unique": 11826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(meas)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 6.56
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.59
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.33,2.09],
"number_observations": 70492,
"number_observations_unique": 10691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 13.57
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.59
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.69,2.33],
"number_observations": 68113,
"number_observations_unique": 9455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 25.42
},
{
"type": "Completeness",
"value": 1.000
},
{
"type": "Redundancy",
"value": 7.20
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.30,2.69],
"number_observations": 55462,
"number_observations_unique": 8009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 43.53
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.92
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.65,3.30],
"number_observations": 39155,
"number_observations_unique": 6260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 65.86
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.25
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,4.65],
"number_observations": 25865,
"number_observations_unique": 3509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 79.98
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 7.37
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}