Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "90cbe48d64f40e75b2fb46c9fb431fea",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.757,
"b": 88.757,
"c": 39.589,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.380,1.050],
"number_observations": 917818,
"number_observations_unique": 142814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 14.810
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.427
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.050],
"number_observations": 143302,
"number_observations_unique": 22751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 3.240
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.299
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [1.190,1.120],
"number_observations": 139434,
"number_observations_unique": 21633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 5.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.445
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.290,1.190],
"number_observations": 131059,
"number_observations_unique": 20195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 8.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.490
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 122663,
"number_observations_unique": 18582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 11.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.601
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 110793,
"number_observations_unique": 16806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 16.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.592
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.820,1.580],
"number_observations": 96809,
"number_observations_unique": 14888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 23.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.502
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.230,1.820],
"number_observations": 77389,
"number_observations_unique": 12617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 30.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.134
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.150,2.230],
"number_observations": 61632,
"number_observations_unique": 9802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 34.830
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.288
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.380,3.150],
"number_observations": 34737,
"number_observations_unique": 5540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 37.090
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.270
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}